{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001284","ANALYSIS_ID":"AN002128","VERSION":"1","CREATED_ON":"November 26, 2019, 11:33 am"},

"PROJECT":{"PROJECT_TITLE":"Pseudoexfoliation Syndrome Humor Metabolites from Veterans Affairs Patients","PROJECT_TYPE":"NMR","PROJECT_SUMMARY":"We performed high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS) Isotopic Ratio Outlier Analysis of aqueous humor samples from patients with pseudoexfoliation syndrome (PEX). The PEX patient AH samples were subjected to 1H-NMR spectroscopy for the identification of metabolites using HSQC and TOCSY techniques.","INSTITUTE":"Bascom Palmer Eye Institute, University of Miami","LAST_NAME":"Bhattacharya","FIRST_NAME":"Sanjoy","ADDRESS":"1638 NW 10th Avenue, Miami, Florida, 33136, USA","EMAIL":"sbhattacharya@med.miami.edu","PHONE":"3054824103","CONTRIBUTORS":"Leila Abdelrahman"},

"STUDY":{"STUDY_TITLE":"Pseudoexfoliation Aqueous Humor Metabolites from Veterans Affairs Patients NMR (part-II)","STUDY_SUMMARY":"The PEX patient AH samples were subjected to 1H-NMR spectroscopy for the identification of metabolites using HSQC and TOCSY techniques.","INSTITUTE":"Bascom Palmer Eye Institute, University of Miami","DEPARTMENT":"Opthalmology","LABORATORY":"Sanjoy K. Bhattacharya","LAST_NAME":"Bhattacharya","FIRST_NAME":"Sanjoy","ADDRESS":"1638 NW 10th Avenue, Miami, FL 33136","EMAIL":"SBhattacharya@med.miami.edu","PHONE":"305-482-4103","NUM_GROUPS":"1","TOTAL_SUBJECTS":"31"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Sample005",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X145_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample006",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X154_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample007",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X167_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample008",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X187_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample009",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X188_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample010",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X197_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample011",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X200_05162019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample012",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X219_05162019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample013",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X336_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample014",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X352_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample015",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X359_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample016",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X362_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample017",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X379_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample018",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X406_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample019",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X413_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample020",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X418_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample021",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X423_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample022",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X425_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample023",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X449_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample024",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X459_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample025",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X464_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample026",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X483_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample027",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X485_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample028",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X559_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample029",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X561_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample030",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X562_05162019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample031",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X579_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample032",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X586_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample033",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X598_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample034",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X653_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample035",
"Factors":{"Treatment":"PXE"},
"Additional sample data":{"Folder Name":"Sanjoy_X655_05212019"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"All materials were collected from human donors without identifiers under institutional review board exemption/approval. We acquired 31 aqueous humor (AH) samples from participants at the Veterans Administration (VA) Medical Center (Miami, FL). Patient samples used for NMR consisted of individuals with PEX (n=31).","SAMPLE_TYPE":"Eye tissue","COLLECTION_LOCATION":"1201 NW 16th St, Miami, FL 33125"},

"TREATMENT":{"TREATMENT_SUMMARY":"No Treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Each NMR sample contained 50 μL of volume (45 μL of liquid sample + 5 μL of D2O containing 1.111 mM DSS), with 10% D2O and 0.111 mM DSS."},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Bruker","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"2D-1H-1H","SPECTROMETER_FREQUENCY":"600 MHz"},

"NMR_METABOLITE_DATA":{
"Units":"Arbitrary Unites",

"Data":[{"Metabolite":"DSS","Sample005":"0.5","Sample006":"0.5","Sample007":"0.5","Sample008":"0.5","Sample009":"0.5","Sample010":"0.5","Sample011":"0.5","Sample012":"0.5","Sample013":"0.5","Sample014":"0.5","Sample015":"0.5","Sample016":"0.5","Sample017":"0.5","Sample018":"0.5","Sample019":"0.5","Sample020":"0.5","Sample021":"0.5","Sample022":"0.5","Sample023":"0.5","Sample024":"0.5","Sample025":"0.5","Sample026":"0.5","Sample027":"0.5","Sample028":"0.5","Sample029":"0.5","Sample030":"0.5","Sample031":"0.5","Sample032":"0.5","Sample033":"0.5","Sample034":"0.5","Sample035":"0.5"},{"Metabolite":"2-Hydroxy isovalerate","Sample005":"0.005","Sample006":"0.005","Sample007":"0.003","Sample008":"0.006","Sample009":"0.003","Sample010":"0.006","Sample011":"0.006","Sample012":"0.002","Sample013":"0.004","Sample014":"0.005","Sample015":"0.003","Sample016":"0.011","Sample017":"0.006","Sample018":"0.005","Sample019":"0.004","Sample020":"0.005","Sample021":"0.006","Sample022":"0.004","Sample023":"0.006","Sample024":"0.005","Sample025":"0.005","Sample026":"0.003","Sample027":"0.005","Sample028":"0.008","Sample029":"0.004","Sample030":"0.005","Sample031":"0.006","Sample032":"0.009","Sample033":"0.003","Sample034":"0.005","Sample035":"0.001"},{"Metabolite":"2-Hydroxy-butyrate","Sample005":"0.062","Sample006":"0.076","Sample007":"0.038","Sample008":"0.077","Sample009":"0.039","Sample010":"0.077","Sample011":"0.091","Sample012":"0.056","Sample013":"0.088","Sample014":"0.065","Sample015":"0.052","Sample016":"0.116","Sample017":"0.043","Sample018":"0.054","Sample019":"0.07","Sample020":"0.093","Sample021":"0.077","Sample022":"0.058","Sample023":"0.063","Sample024":"0.077","Sample025":"0.043","Sample026":"0.047","Sample027":"0.068","Sample028":"0.097","Sample029":"0.093","Sample030":"0.078","Sample031":"0.084","Sample032":"0.093","Sample033":"0.048","Sample034":"0.074","Sample035":"0.033"},{"Metabolite":"Leucine","Sample005":"0.156","Sample006":"0.173","Sample007":"0.085","Sample008":"0.195","Sample009":"0.091","Sample010":"0.222","Sample011":"0.147","Sample012":"0.134","Sample013":"0.22","Sample014":"0.193","Sample015":"0.112","Sample016":"0.258","Sample017":"0.162","Sample018":"0.115","Sample019":"0.187","Sample020":"0.193","Sample021":"0.201","Sample022":"0.175","Sample023":"0.151","Sample024":"0.249","Sample025":"0.102","Sample026":"0.133","Sample027":"0.178","Sample028":"0.194","Sample029":"0.226","Sample030":"0.166","Sample031":"0.22","Sample032":"0.23","Sample033":"0.17","Sample034":"0.141","Sample035":"0.112"},{"Metabolite":"Isoleucine","Sample005":"0.108","Sample006":"0.103","Sample007":"0.045","Sample008":"0.124","Sample009":"0.056","Sample010":"0.141","Sample011":"0.103","Sample012":"0.08","Sample013":"0.127","Sample014":"0.115","Sample015":"0.064","Sample016":"0.181","Sample017":"0.114","Sample018":"0.072","Sample019":"0.12","Sample020":"0.123","Sample021":"0.136","Sample022":"0.12","Sample023":"0.106","Sample024":"0.135","Sample025":"0.072","Sample026":"0.083","Sample027":"0.122","Sample028":"0.125","Sample029":"0.155","Sample030":"0.137","Sample031":"0.133","Sample032":"0.155","Sample033":"0.107","Sample034":"0.079","Sample035":"0.073"},{"Metabolite":"Valine","Sample005":"0.292","Sample006":"0.335","Sample007":"0.171","Sample008":"0.355","Sample009":"0.175","Sample010":"0.392","Sample011":"0.335","Sample012":"0.247","Sample013":"0.437","Sample014":"0.337","Sample015":"0.217","Sample016":"0.481","Sample017":"0.265","Sample018":"0.241","Sample019":"0.379","Sample020":"0.43","Sample021":"0.364","Sample022":"0.354","Sample023":"0.333","Sample024":"0.375","Sample025":"0.196","Sample026":"0.259","Sample027":"0.351","Sample028":"0.357","Sample029":"0.372","Sample030":"0.337","Sample031":"0.374","Sample032":"0.406","Sample033":"0.393","Sample034":"0.306","Sample035":"0.236"},{"Metabolite":"Isobutyrate","Sample005":"0.008","Sample006":"0.009","Sample007":"0.005","Sample008":"0.009","Sample009":"0.005","Sample010":"0.011","Sample011":"0.009","Sample012":"0.007","Sample013":"0.013","Sample014":"0.009","Sample015":"0.007","Sample016":"0.011","Sample017":"0.007","Sample018":"0.006","Sample019":"0.011","Sample020":"0.014","Sample021":"0.011","Sample022":"0.01","Sample023":"0.009","Sample024":"0.009","Sample025":"0.007","Sample026":"0.007","Sample027":"0.009","Sample028":"0.011","Sample029":"0.01","Sample030":"0.009","Sample031":"0.01","Sample032":"0.01","Sample033":"0.008","Sample034":"0.009","Sample035":"0.006"},{"Metabolite":"2-methyl glutarate","Sample005":"0.022","Sample006":"0.022","Sample007":"0.007","Sample008":"0.038","Sample009":"0.012","Sample010":"0.022","Sample011":"0.017","Sample012":"0.012","Sample013":"0.028","Sample014":"0.027","Sample015":"0.019","Sample016":"0.026","Sample017":"0.015","Sample018":"0.022","Sample019":"0.023","Sample020":"0.021","Sample021":"0.028","Sample022":"0.022","Sample023":"0.018","Sample024":"0.013","Sample025":"0.019","Sample026":"0.011","Sample027":"0.018","Sample028":"0.022","Sample029":"0.016","Sample030":"0.012","Sample031":"0.016","Sample032":"0.029","Sample033":"0.019","Sample034":"0.021","Sample035":"0.014"},{"Metabolite":"3-methyl-2-oxovalerate","Sample005":"0.012","Sample006":"0.011","Sample007":"0.013","Sample008":"0.015","Sample009":"0.014","Sample010":"0.016","Sample011":"0.032","Sample012":"0.016","Sample013":"0.021","Sample014":"0.012","Sample015":"0.005","Sample016":"0.032","Sample017":"0.011","Sample018":"0.01","Sample019":"0.009","Sample020":"0.026","Sample021":"0.021","Sample022":"0.014","Sample023":"0.019","Sample024":"0.023","Sample025":"0.014","Sample026":"0.016","Sample027":"0.022","Sample028":"0.026","Sample029":"0.019","Sample030":"0.022","Sample031":"0.027","Sample032":"0.013","Sample033":"0.011","Sample034":"0.019","Sample035":"0.007"},{"Metabolite":"Propylene glycol","Sample005":"0.014","Sample006":"0.012","Sample007":"0.007","Sample008":"0.036","Sample009":"0.008","Sample010":"0.016","Sample011":"0.013","Sample012":"0.012","Sample013":"0.016","Sample014":"0.014","Sample015":"0.009","Sample016":"0.04","Sample017":"0.033","Sample018":"0.023","Sample019":"0.008","Sample020":"0.027","Sample021":"0.024","Sample022":"0.01","Sample023":"0.018","Sample024":"0.021","Sample025":"0.02","Sample026":"0.014","Sample027":"0.02","Sample028":"0.024","Sample029":"0.006","Sample030":"0.007","Sample031":"0.016","Sample032":"0.015","Sample033":"0.013","Sample034":"0.045","Sample035":"0.007"},{"Metabolite":"3-Hydroxy-butyrate","Sample005":"0.047","Sample006":"0.513","Sample007":"0.035","Sample008":"0.203","Sample009":"0.042","Sample010":"0.124","Sample011":"0.214","Sample012":"0.187","Sample013":"0.147","Sample014":"0.05","Sample015":"0.031","Sample016":"0.068","Sample017":"0.083","Sample018":"0.048","Sample019":"0.047","Sample020":"0.097","Sample021":"0.146","Sample022":"0.079","Sample023":"0.051","Sample024":"0.05","Sample025":"0.067","Sample026":"0.065","Sample027":"0.057","Sample028":"0.098","Sample029":"0.036","Sample030":"0.046","Sample031":"0.156","Sample032":"0.076","Sample033":"0.04","Sample034":"0.059","Sample035":"0.118"},{"Metabolite":"3-Hydroxy 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