{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000381","ANALYSIS_ID":"AN000615","VERSION":"1","CREATED_ON":"April 21, 2016, 3:05 pm"},

"PROJECT":{"PROJECT_TITLE":"Urinary Metabolites in IC/PBS Diagnosis","PROJECT_SUMMARY":"This West Coast Metabolomics Center sponsored pilot grant goal is to identify and validate interstitial cystitis/painful bladder syndrome (IC/PBS)-associated urinary metabolites. Our central hypothesis is that IC/PBS-associated metabolites in the urine of IC/PBS patients can segregate patients from control subjects, and that their levels are correlated with clinical symptoms. To test this hypothesis, we will identify IC/PBS-associated metabolites in urine using two independent platforms, GC-MS and quadrupole time-of-flight (Q-TOF) mass spectrometry under the collaboration with UC Davis WCMC scientists. We believe that this study will provide a significant potential clinical impact because results may lead to clinical methods to increase diagnostic accuracy and an improved understanding of the molecular basis of IC/PBS and its relationship to urologic conditions with overlapping symptoms.","INSTITUTE":"University of California, Davis","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"NIH U24DK097154"},

"STUDY":{"STUDY_TITLE":"Urinary Metabolites in IC/PBS Diagnosis (part I)","STUDY_SUMMARY":"This West Coast Metabolomics Center sponsored pilot grant goal is to identify and validate interstitial cystitis/painful bladder syndrome (IC/PBS)-associated urinary metabolites. Our central hypothesis is that IC/PBS-associated metabolites in the urine of IC/PBS patients can segregate patients from control subjects, and that their levels are correlated with clinical symptoms. To test this hypothesis, we will identify IC/PBS-associated metabolites in urine using two independent platforms, GC-MS and quadrupole time-of-flight (Q-TOF) mass spectrometry under the collaboration with UC Davis WCMC scientists. We believe that this study will provide a significant potential clinical impact because results may lead to clinical methods to increase diagnostic accuracy and an improved understanding of the molecular basis of IC/PBS and its relationship to urologic conditions with overlapping symptoms.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","NUM_GROUPS":"4","TOTAL_SUBJECTS":"92"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"C10",
"Sample ID":"140813amssa25_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C10","Factor3":"n/a"}
},
{
"Subject ID":"C13",
"Sample ID":"140814amssa37_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C13","Factor3":"n/a"}
},
{
"Subject ID":"C15",
"Sample ID":"140814amssa14_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C15","Factor3":"n/a"}
},
{
"Subject ID":"C16",
"Sample ID":"140814amssa35_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C16","Factor3":"n/a"}
},
{
"Subject ID":"C17",
"Sample ID":"140813amssa35_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C17","Factor3":"n/a"}
},
{
"Subject ID":"C18",
"Sample ID":"140813amssa13_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C18","Factor3":"n/a"}
},
{
"Subject ID":"C26",
"Sample ID":"140813amssa42_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C26","Factor3":"n/a"}
},
{
"Subject ID":"C27",
"Sample ID":"140814amssa24_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C27","Factor3":"n/a"}
},
{
"Subject ID":"C28",
"Sample ID":"140813amssa38_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C28","Factor3":"n/a"}
},
{
"Subject ID":"C33",
"Sample ID":"140813amssa47_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C33","Factor3":"n/a"}
},
{
"Subject ID":"C40",
"Sample ID":"140813amssa03_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C40","Factor3":"n/a"}
},
{
"Subject ID":"C45",
"Sample ID":"140814amssa50_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C45","Factor3":"n/a"}
},
{
"Subject ID":"C49",
"Sample ID":"140813amssa19_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C49","Factor3":"n/a"}
},
{
"Subject ID":"C50",
"Sample ID":"140814amssa07_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C50","Factor3":"n/a"}
},
{
"Subject ID":"C51",
"Sample ID":"140813amssa11_1",
"Factors":{"Factor1":"CSMC","Factor2":"Matched control-C51","Factor3":"n/a"}
},
{
"Subject ID":"C 01",
"Sample ID":"140813amssa49_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 1","Factor3":"n/a"}
},
{
"Subject ID":"C 02",
"Sample ID":"140814amssa39_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 2","Factor3":"n/a"}
},
{
"Subject ID":"C 03",
"Sample ID":"140814amssa23_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 3","Factor3":"n/a"}
},
{
"Subject ID":"C 04",
"Sample ID":"140813amssa16_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 4","Factor3":"n/a"}
},
{
"Subject ID":"C 05",
"Sample ID":"140814amssa27_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 5","Factor3":"n/a"}
},
{
"Subject ID":"C 06",
"Sample ID":"140813amssa10_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 6","Factor3":"n/a"}
},
{
"Subject ID":"C 07",
"Sample ID":"140814amssa11_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 7","Factor3":"n/a"}
},
{
"Subject ID":"C 08",
"Sample ID":"140813amssa01_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 8","Factor3":"n/a"}
},
{
"Subject ID":"C 09",
"Sample ID":"140814amssa49_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 9","Factor3":"n/a"}
},
{
"Subject ID":"C 10",
"Sample ID":"140813amssa46_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 10","Factor3":"n/a"}
},
{
"Subject ID":"C 11",
"Sample ID":"140814amssa19_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 11","Factor3":"n/a"}
},
{
"Subject ID":"C 12",
"Sample ID":"140813amssa40_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 12","Factor3":"n/a"}
},
{
"Subject ID":"C 13",
"Sample ID":"140814amssa08_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 13","Factor3":"n/a"}
},
{
"Subject ID":"C 14",
"Sample ID":"140813amssa05_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 14","Factor3":"n/a"}
},
{
"Subject ID":"C 15",
"Sample ID":"140813amssa37_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 15","Factor3":"n/a"}
},
{
"Subject ID":"C 16",
"Sample ID":"140814amssa05_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 16","Factor3":"n/a"}
},
{
"Subject ID":"C 17",
"Sample ID":"140814amssa21_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 17","Factor3":"n/a"}
},
{
"Subject ID":"C 18",
"Sample ID":"140814amssa10_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 18","Factor3":"n/a"}
},
{
"Subject ID":"C 19",
"Sample ID":"140813amssa07_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 19","Factor3":"n/a"}
},
{
"Subject ID":"C 20",
"Sample ID":"140813amssa09_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 20","Factor3":"n/a"}
},
{
"Subject ID":"C 21",
"Sample ID":"140814amssa22_1",
"Factors":{"Factor1":"INHA","Factor2":"Matched control-C 21","Factor3":"n/a"}
},
{
"Subject ID":"IC 05",
"Sample ID":"140813amssa29_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC5","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 09",
"Sample ID":"140814amssa16_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC9","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 12",
"Sample ID":"140814amssa12_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC12","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 14",
"Sample ID":"140814amssa09_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC14","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 19",
"Sample ID":"140813amssa02_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC19","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 20",
"Sample ID":"140813amssa18_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC20","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 21",
"Sample ID":"140814amssa31_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC21","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 22",
"Sample ID":"140813amssa39_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC22","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 30",
"Sample ID":"140814amssa38_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC30","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 31",
"Sample ID":"140814amssa01_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC31","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 32",
"Sample ID":"140813amssa23_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC32","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 48",
"Sample ID":"140813amssa15_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC48","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 52",
"Sample ID":"140814amssa02_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC52","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 53",
"Sample ID":"140813amssa31_1",
"Factors":{"Factor1":"CSMC","Factor2":"ICPBS Urine-IC53","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 01",
"Sample ID":"140814amssa15_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 1","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 02",
"Sample ID":"140813amssa41_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 2","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 03",
"Sample ID":"140813amssa17_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 3","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 04",
"Sample ID":"140813amssa43_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 4","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 05",
"Sample ID":"140813amssa14_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 5","Factor3":"MODEST"}
},
{
"Subject ID":"IC 06",
"Sample ID":"140814amssa42_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 6","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 07",
"Sample ID":"140813amssa36_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 7","Factor3":"MODEST"}
},
{
"Subject ID":"IC 08",
"Sample ID":"140814amssa25_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 8","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 09",
"Sample ID":"140814amssa26_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 9","Factor3":"MODEST"}
},
{
"Subject ID":"IC 10",
"Sample ID":"140813amssa48_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 10","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 11",
"Sample ID":"140814amssa41_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 11","Factor3":"MODEST"}
},
{
"Subject ID":"IC 13",
"Sample ID":"140814amssa20_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 13","Factor3":"MODEST"}
},
{
"Subject ID":"IC 14",
"Sample ID":"140813amssa33_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 14","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 15",
"Sample ID":"140814amssa47_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 15","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 16",
"Sample ID":"140813amssa21_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 16","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 17",
"Sample ID":"140813amssa44_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 17","Factor3":"MODEST"}
},
{
"Subject ID":"IC 18",
"Sample ID":"140813amssa28_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 18","Factor3":"MODEST"}
},
{
"Subject ID":"IC 19",
"Sample ID":"140813amssa22_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 19","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 20",
"Sample ID":"140814amssa32_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 20","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 21",
"Sample ID":"140814amssa45_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 21","Factor3":"MODEST"}
},
{
"Subject ID":"IC 22",
"Sample ID":"140814amssa30_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 22","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 24",
"Sample ID":"140814amssa33_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 24","Factor3":"MODEST"}
},
{
"Subject ID":"IC 25",
"Sample ID":"140814amssa03_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 25","Factor3":"MODEST"}
},
{
"Subject ID":"IC 26",
"Sample ID":"140813amssa24_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 26","Factor3":"MODEST"}
},
{
"Subject ID":"IC 27",
"Sample ID":"140813amssa27_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 27","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 28",
"Sample ID":"140814amssa28_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 28","Factor3":"MODEST"}
},
{
"Subject ID":"IC 29",
"Sample ID":"140814amssa34_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 29","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 30",
"Sample ID":"140813amssa26_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 30","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 31",
"Sample ID":"140813amssa12_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 31","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 32",
"Sample ID":"140814amssa13_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 32","Factor3":"MODEST"}
},
{
"Subject ID":"IC 33",
"Sample ID":"140813amssa20_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 33","Factor3":"MODEST"}
},
{
"Subject ID":"IC 34",
"Sample ID":"140814amssa06_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 34","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 35",
"Sample ID":"140813amssa08_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 35","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 36",
"Sample ID":"140813amssa45_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 36","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 37",
"Sample ID":"140813amssa50_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 37","Factor3":"MODEST"}
},
{
"Subject ID":"IC 38",
"Sample ID":"140814amssa29_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 38","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 39",
"Sample ID":"140814amssa44_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 39","Factor3":"SEVERE"}
},
{
"Subject ID":"IC 40",
"Sample ID":"140814amssa46_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 40","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 41",
"Sample ID":"140813amssa32_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 41","Factor3":"MODEST"}
},
{
"Subject ID":"IC 42",
"Sample ID":"140813amssa04_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 42","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 43",
"Sample ID":"140814amssa48_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 43","Factor3":"INTERMEDIATE"}
},
{
"Subject ID":"IC 12",
"Sample ID":"140814amssa17_1",
"Factors":{"Factor1":"INHA","Factor2":"ICPBS Urine-IC 12","Factor3":"MODEST"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"All urine specimens were collected in the morning by clean catch methods. Samples were centrifuged at 4◦C to remove cell debris, and supernatants were aliquots of 1ml/tube, before storage at −80◦C until further analysis.","SAMPLE_TYPE":"Urine"},

"TREATMENT":{"TREATMENT_SUMMARY":"Matched control urine vs. IC/PBS Urine"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. Extraction with cold Methanol; extracts generated using protocols for GC profiling (“GC backups” re-analyzed by LC-MS). 2. Samples are taken to dryness and stored at -20 degree C until analysis.","SAMPLEPREP_PROTOCOL_FILENAME":"SP_RP18_Protocol_KimUrine_IG102814.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Restek Corporation Rtx-5Sil MS","FLOW_RATE":"1 ml/min","COLUMN_TEMPERATURE":"50-330C","METHODS_FILENAME":"GCTOF_MS_primary_metabolism_10-15-2013_general.pdf","COLUMN_PRESSURE":"7.7 PSI","INJECTION_TEMPERATURE":"50 C ramped to 250 C by 12 C/s","SAMPLE_INJECTION":"0.5 uL","OVEN_TEMPERATURE":"50°C for 1 min, then ramped at 20°C/min to 330°C, held constant for 5 min","TRANSFERLINE_TEMPERATURE":"230C","WASHING_BUFFER":"Ethyl Acetate","SAMPLE_LOOP_SIZE":"30 m length x 0.25 mm internal diameter","RANDOMIZATION_ORDER":"Excel generated"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Leco Pegasus III GC TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","ION_SOURCE_TEMPERATURE":"250 C","IONIZATION_ENERGY":"70 eV","MASS_ACCURACY":"Nominal","SOURCE_TEMPERATURE":"250 C","SCAN_RANGE_MOVERZ":"85-500 Da","SCANNING_CYCLE":"17 Hz","SCANNING_RANGE":"85-500 Da","SKIMMER_VOLTAGE":"1850 V"},

"MS_METABOLITE_DATA":{
"Units":"counts",

"Data":[{"":"xylulose 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