{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001285","ANALYSIS_ID":"AN002129","VERSION":"1","CREATED_ON":"November 26, 2019, 11:38 am"},

"PROJECT":{"PROJECT_TITLE":"POAG and Control Aqueous Humor IROA Metabolites from Veterans Affairs Patients","PROJECT_TYPE":"untargeted LC-MS/MS IROA metabolomics","PROJECT_SUMMARY":"We performed high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS) and Isotopic Ratio Outlier Analysis (IROA) data analysis on aqueous humor patient samples. Samples were collected at asynchronous times. The AH samples were subjected to 1H-NMR spectroscopy for 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, Florida, 33136, USA","EMAIL":"sbhattacharya@med.miami.edu","PHONE":"3054824103","CONTRIBUTORS":"Leila Abdelrahman"},

"STUDY":{"STUDY_TITLE":"POAG and Control Aqueous Humor IROA Metabolites from Veterans Affairs Patients NMR (part-II)","STUDY_TYPE":"untargeted LC-MS/MS metabolomics IROA","STUDY_SUMMARY":"The AH samples were subjected to 1H-NMR spectroscopy for identification of metabolites using HSQC and TOCSY techniques","INSTITUTE":"Bascom Palmer Eye Institute","DEPARTMENT":"Ophthalmology","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":"2","TOTAL_SUBJECTS":"41"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Sample005",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G27_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample006",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G29_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample007",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G30_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample008",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G31_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample009",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G33_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample010",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G34_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample011",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G35_05162019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample012",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G36_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample013",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G38_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample014",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G39_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample015",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G40_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample016",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G41_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample017",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G42_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample018",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G43_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample019",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G44_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample020",
"Factors":{"Factor":"POAG"},
"Additional sample data":{"Folder Name":"Sanjoy_G45_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample021",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N12_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample022",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N14_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample023",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N19_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample024",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N28_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample025",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N29_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample026",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N30_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample027",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N4_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample028",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N55_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample029",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N57_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample030",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N58_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample031",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N59_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample032",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N5_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample033",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N60_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample034",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N61_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample035",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N62_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample036",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N64_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample037",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N65_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample038",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N66_05172019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample039",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N67_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample040",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N68_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample041",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N69_05212019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample042",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N70_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample043",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N72_05202019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample044",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N73_05162019"}
},
{
"Subject ID":"-",
"Sample ID":"Sample045",
"Factors":{"Factor":"CONTROL"},
"Additional sample data":{"Folder Name":"Sanjoy_N75_05172019"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Aqueous Humor samples of VA patients with POAG and Control were taken.","SAMPLE_TYPE":"Eye tissue","COLLECTION_METHOD":"All materials were collected from human donors without identifiers under institutional review board exemption/approval. We acquired 58 aqueous humor (AH) samples from participants at the Veterans Administration (VA) Medical Center (Miami, FL). Patient samples used for 1H-Nuclear Magnetic Resonance (NMR) and Isotopic Ratio Outlier Analysis (IROA) consisted of individuals with POAG (n=23) and non-POAG controls (n=35)."},

"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 Avance","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","Sample036":"0.5","Sample037":"0.5","Sample038":"0.5","Sample039":"0.5","Sample040":"0.5","Sample041":"0.5","Sample042":"0.5","Sample043":"0.5","Sample044":"0.5","Sample045":"0.5"},{"Metabolite":"2-Hydroxy isovalerate","Sample005":"0.003","Sample006":"0.008","Sample007":"0.005","Sample008":"0.034","Sample009":"0.009","Sample010":"0.007","Sample011":"0.004","Sample012":"0.005","Sample013":"0.004","Sample014":"0.004","Sample015":"0.009","Sample016":"0.007","Sample017":"0.004","Sample018":"0.008","Sample019":"0.007","Sample020":"0.005","Sample021":"0.009","Sample022":"0.004","Sample023":"0.005","Sample024":"0.011","Sample025":"0.004","Sample026":"0.034","Sample027":"0.009","Sample028":"0.004","Sample029":"0.004","Sample030":"0.003","Sample031":"0.003","Sample032":"0.005","Sample033":"0.005","Sample034":"0.006","Sample035":"0.005","Sample036":"0.004","Sample037":"0.004","Sample038":"0.004","Sample039":"0.008","Sample040":"0.007","Sample041":"0.031","Sample042":"0.003","Sample043":"0.007","Sample044":"0.008","Sample045":"0.003"},{"Metabolite":"2-Hydroxy-butyrate","Sample005":"0.056","Sample006":"0.091","Sample007":"0.064","Sample008":"0.305","Sample009":"0.106","Sample010":"0.06","Sample011":"0.067","Sample012":"0.062","Sample013":"0.06","Sample014":"0.054","Sample015":"0.1","Sample016":"0.107","Sample017":"0.073","Sample018":"0.072","Sample019":"0.176","Sample020":"0.072","Sample021":"0.062","Sample022":"0.054","Sample023":"0.041","Sample024":"0.084","Sample025":"0.119","Sample026":"0.137","Sample027":"0.083","Sample028":"0.08","Sample029":"0.062","Sample030":"0.047","Sample031":"0.039","Sample032":"0.079","Sample033":"0.051","Sample034":"0.04","Sample035":"0.064","Sample036":"0.057","Sample037":"0.066","Sample038":"0.045","Sample039":"0.045","Sample040":"0.074","Sample041":"0.089","Sample042":"0.051","Sample043":"0.059","Sample044":"0.096","Sample045":"0.088"},{"Metabolite":"Leucine","Sample005":"0.187","Sample006":"0.192","Sample007":"0.129","Sample008":"0.387","Sample009":"0.186","Sample010":"0.192","Sample011":"0.18","Sample012":"0.136","Sample013":"0.146","Sample014":"0.164","Sample015":"0.18","Sample016":"0.283","Sample017":"0.115","Sample018":"0.179","Sample019":"0.2","Sample020":"0.231","Sample021":"0.129","Sample022":"0.144","Sample023":"0.113","Sample024":"0.15","Sample025":"0.21","Sample026":"0.307","Sample027":"0.205","Sample028":"0.239","Sample029":"0.212","Sample030":"0.148","Sample031":"0.114","Sample032":"0.275","Sample033":"0.196","Sample034":"0.161","Sample035":"0.178","Sample036":"0.213","Sample037":"0.186","Sample038":"0.172","Sample039":"0.14","Sample040":"0.118","Sample041":"0.201","Sample042":"0.147","Sample043":"0.279","Sample044":"0.3","Sample045":"0.183"},{"Metabolite":"Isoleucine","Sample005":"0.116","Sample006":"0.102","Sample007":"0.084","Sample008":"0.254","Sample009":"0.118","Sample010":"0.142","Sample011":"0.134","Sample012":"0.09","Sample013":"0.085","Sample014":"0.101","Sample015":"0.118","Sample016":"0.192","Sample017":"0.073","Sample018":"0.123","Sample019":"0.124","Sample020":"0.139","Sample021":"0.095","Sample022":"0.087","Sample023":"0.102","Sample024":"0.112","Sample025":"0.135","Sample026":"0.239","Sample027":"0.154","Sample028":"0.15","Sample029":"0.156","Sample030":"0.1","Sample031":"0.069","Sample032":"0.187","Sample033":"0.124","Sample034":"0.103","Sample035":"0.121","Sample036":"0.12","Sample037":"0.11","Sample038":"0.134","Sample039":"0.103","Sample040":"0.099","Sample041":"0.125","Sample042":"0.093","Sample043":"0.219","Sample044":"0.182","Sample045":"0.121"},{"Metabolite":"Valine","Sample005":"0.382","Sample006":"0.321","Sample007":"0.239","Sample008":"0.615","Sample009":"0.323","Sample010":"0.359","Sample011":"0.312","Sample012":"0.218","Sample013":"0.274","Sample014":"0.325","Sample015":"0.317","Sample016":"0.495","Sample017":"0.231","Sample018":"0.325","Sample019":"0.338","Sample020":"0.401","Sample021":"0.19","Sample022":"0.247","Sample023":"0.196","Sample024":"0.265","Sample025":"0.391","Sample026":"0.411","Sample027":"0.295","Sample028":"0.407","Sample029":"0.361","Sample030":"0.315","Sample031":"0.221","Sample032":"0.471","Sample033":"0.332","Sample034":"0.265","Sample035":"0.308","Sample036":"0.326","Sample037":"0.315","Sample038":"0.335","Sample039":"0.269","Sample040":"0.204","Sample041":"0.264","Sample042":"0.289","Sample043":"0.423","Sample044":"0.362","Sample045":"0.3"},{"Metabolite":"Isobutyrate","Sample005":"0.01","Sample006":"0.008","Sample007":"0.008","Sample008":"0.023","Sample009":"0.011","Sample010":"0.012","Sample011":"0.009","Sample012":"0.007","Sample013":"0.008","Sample014":"0.009","Sample015":"0.011","Sample016":"0.012","Sample017":"0.008","Sample018":"0.009","Sample019":"0.011","Sample020":"0.009","Sample021":"0.004","Sample022":"0.007","Sample023":"0.006","Sample024":"0.008","Sample025":"0.011","Sample026":"0.014","Sample027":"0.009","Sample028":"0.017","Sample029":"0.009","Sample030":"0.008","Sample031":"0.006","Sample032":"0.01","Sample033":"0.008","Sample034":"0.007","Sample035":"0.009","Sample036":"0.009","Sample037":"0.01","Sample038":"0.008","Sample039":"0.008","Sample040":"0.007","Sample041":"0.007","Sample042":"0.006","Sample043":"0.01","Sample044":"0.009","Sample045":"0.009"},{"Metabolite":"2-methyl glutarate","Sample005":"0.017","Sample006":"0.022","Sample007":"0.021","Sample008":"0.047","Sample009":"0.015","Sample010":"0.012","Sample011":"0.022","Sample012":"0.014","Sample013":"0.015","Sample014":"0.019","Sample015":"0.013","Sample016":"0.025","Sample017":"0.014","Sample018":"0.026","Sample019":"0.025","Sample020":"0.021","Sample021":"0.008","Sample022":"0.011","Sample023":"0.016","Sample024":"0.02","Sample025":"0.022","Sample026":"0.02","Sample027":"0.016","Sample028":"0.031","Sample029":"0.022","Sample030":"0.009","Sample031":"0.018","Sample032":"0.025","Sample033":"0.024","Sample034":"0.016","Sample035":"0.022","Sample036":"0.012","Sample037":"0.021","Sample038":"0.023","Sample039":"0.022","Sample040":"0.021","Sample041":"0.012","Sample042":"0.024","Sample043":"0.02","Sample044":"0.016","Sample045":"0.008"},{"Metabolite":"3-methyl-2-oxovalerate","Sample005":"0.018","Sample006":"0.022","Sample007":"0.022","Sample008":"0.04","Sample009":"0.036","Sample010":"0.031","Sample011":"0.026","Sample012":"0.02","Sample013":"0.02","Sample014":"0.014","Sample015":"0.037","Sample016":"0.022","Sample017":"0.022","Sample018":"0.02","Sample019":"0.02","Sample020":"0.017","Sample021":"0.02","Sample022":"0.018","Sample023":"0.017","Sample024":"0.021","Sample025":"0.02","Sample026":"0.071","Sample027":"0.02","Sample028":"0.013","Sample029":"0.012","Sample030":"0.024","Sample031":"0.011","Sample032":"0.02","Sample033":"0.009","Sample034":"0.016","Sample035":"0.017","Sample036":"0.021","Sample037":"0.018","Sample038":"0.02","Sample039":"0.008","Sample040":"0.017","Sample041":"0.03","Sample042":"0.01","Sample043":"0.011","Sample044":"0.028","Sample045":"0.023"},{"Metabolite":"Propylene 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