{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000382","ANALYSIS_ID":"AN000616","VERSION":"1","CREATED_ON":"April 21, 2016, 3:13 pm"},

"PROJECT":{"PROJECT_TITLE":"Urinary Metabolites in IC/PBS Diagnosis","PROJECT_TYPE":"Disease","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","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"Health Sciences Drive, Davis, California, 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"NIH U24DK097154"},

"STUDY":{"STUDY_TITLE":"Urinary Metabolites in IC/PBS Diagnosis (part II)","STUDY_TYPE":"Disease","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":"Health Sciences Drive, Davis, California, 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"C 1",
"Sample ID":"Inj076_SA007_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 2",
"Sample ID":"Inj057_SA008_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 3",
"Sample ID":"Inj009_SA009_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 4",
"Sample ID":"Inj006_SA010_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 5",
"Sample ID":"Inj068_SA011_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 6",
"Sample ID":"Inj004_SA012_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 7",
"Sample ID":"Inj007_SA013_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 8",
"Sample ID":"Inj049_SA014_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 9",
"Sample ID":"Inj090_SA015_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 10",
"Sample ID":"Inj034_SA016_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 11",
"Sample ID":"Inj077_SA017_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 12",
"Sample ID":"Inj020_SA018_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 13",
"Sample ID":"Inj051_SA019_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 14",
"Sample ID":"Inj066_SA020_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 15",
"Sample ID":"Inj056_SA021_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 16",
"Sample ID":"Inj021_SA022_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 17",
"Sample ID":"Inj036_SA023_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 18",
"Sample ID":"Inj046_SA024_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 19",
"Sample ID":"Inj028_SA025_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 20",
"Sample ID":"Inj069_SA026_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C 21",
"Sample ID":"Inj011_SA027_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"IC 1",
"Sample ID":"Inj084_SA028_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 2",
"Sample ID":"Inj094_SA029_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 3",
"Sample ID":"Inj052_SA030_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 4",
"Sample ID":"Inj055_SA031_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 5",
"Sample ID":"Inj058_SA032_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 6",
"Sample ID":"Inj053_SA033_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 7",
"Sample ID":"Inj086_SA034_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 8",
"Sample ID":"Inj085_SA035_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 9",
"Sample ID":"Inj092_SA036_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 10",
"Sample ID":"Inj012_SA037_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 11",
"Sample ID":"Inj061_SA038_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 12",
"Sample ID":"Inj038_SA039_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 13",
"Sample ID":"Inj033_SA040_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 14",
"Sample ID":"Inj019_SA041_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 15",
"Sample ID":"Inj010_SA042_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 16",
"Sample ID":"Inj022_SA043_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 17",
"Sample ID":"Inj079_SA044_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 18",
"Sample ID":"Inj027_SA045_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 19",
"Sample ID":"Inj014_SA046_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 20",
"Sample ID":"Inj048_SA047_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 21",
"Sample ID":"Inj054_SA048_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 22",
"Sample ID":"Inj003_SA049_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 23*",
"Sample ID":"Inj060_SA050_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 24",
"Sample ID":"Inj071_SA051_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 25",
"Sample ID":"Inj016_SA052_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 26",
"Sample ID":"Inj065_SA053_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 27",
"Sample ID":"Inj035_SA054_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 28",
"Sample ID":"Inj013_SA055_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 29",
"Sample ID":"Inj030_SA056_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 30",
"Sample ID":"Inj088_SA057_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 31",
"Sample ID":"Inj083_SA058_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 32",
"Sample ID":"Inj018_SA059_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 33",
"Sample ID":"Inj082_SA060_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 34",
"Sample ID":"Inj089_SA061_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 35",
"Sample ID":"Inj025_SA062_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 36",
"Sample ID":"Inj078_SA063_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 37",
"Sample ID":"Inj045_SA064_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 38",
"Sample ID":"Inj032_SA065_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 39",
"Sample ID":"Inj064_SA066_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC 40",
"Sample ID":"Inj063_SA067_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 41",
"Sample ID":"Inj037_SA068_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"MODEST"}
},
{
"Subject ID":"IC 42",
"Sample ID":"Inj017_SA069_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"IC 43",
"Sample ID":"Inj070_SA070_KimUrine.d",
"Factors":{"Cohort":"INHA","Treatment":"IC/PBS Urine","SubCondition":"INTERMEDIATE"}
},
{
"Subject ID":"C10",
"Sample ID":"Inj039_SA071_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C13",
"Sample ID":"Inj002_SA072_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C15",
"Sample ID":"Inj074_SA073_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C16",
"Sample ID":"Inj081_SA074_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C17",
"Sample ID":"Inj047_SA075_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C18",
"Sample ID":"Inj072_SA076_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C26",
"Sample ID":"Inj059_SA077_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C27",
"Sample ID":"Inj023_SA078_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C28",
"Sample ID":"Inj044_SA079_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C33",
"Sample ID":"Inj091_SA080_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C40",
"Sample ID":"Inj073_SA081_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C45",
"Sample ID":"Inj062_SA082_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C49",
"Sample ID":"Inj005_SA083_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C50",
"Sample ID":"Inj015_SA084_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"C51",
"Sample ID":"Inj026_SA085_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"Matched Control Urine","SubCondition":"n/a"}
},
{
"Subject ID":"IC5",
"Sample ID":"Inj024_SA086_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC9",
"Sample ID":"Inj087_SA087_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC12",
"Sample ID":"Inj075_SA088_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC14",
"Sample ID":"Inj031_SA089_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC19",
"Sample ID":"Inj029_SA090_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC20",
"Sample ID":"Inj093_SA091_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC21",
"Sample ID":"Inj080_SA092_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC22",
"Sample ID":"Inj067_SA093_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC30",
"Sample ID":"Inj040_SA094_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC31",
"Sample ID":"Inj041_SA095_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC32",
"Sample ID":"Inj008_SA096_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC43",
"Sample ID":"Inj050_SA097_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC48",
"Sample ID":"Inj042_SA098_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC52",
"Sample ID":"Inj001_SA099_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
},
{
"Subject ID":"IC53",
"Sample ID":"Inj043_SA100_KimUrine.d",
"Factors":{"Cohort":"CSMC","Treatment":"IC/PBS Urine","SubCondition":"SEVERE"}
}
],
"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. The dry sample is resuspended in 50 uL of Water/acetonitrile 95:5 containing 100 ng/mL of CUDA (12-[[(cyclohexylamino)carbonyl]amino]-dodecanoic acid) as internal standard, vortexed for 10 sec, sonicated for 5 minutes, then centrifuged for 3 min at 14,000 rcf. 2. The samples are transferred to amber vials with micro-inserts and capped immediately, and stored at 4 degree C until and during analysis","SAMPLEPREP_PROTOCOL_FILENAME":"SP_RP18_Protocol_KimUrine_IG102814.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity Accurate Mass QTOF","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2.1mm, 1.7um)","FLOW_GRADIENT":"0% B to 99%B","FLOW_RATE":"0.5 mL/min","COLUMN_TEMPERATURE":"65 C","SOLVENT_A":"Water/Acetonitrile 95:5 with 0.1% acetic acid","SOLVENT_B":"100% Acetonitrile with 0.1% acetic acid","COLUMN_PRESSURE":"1200 bar","INTERNAL_STANDARD":"CUDA","SAMPLE_INJECTION":"3uL","ANALYTICAL_TIME":"15 min","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel generated"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"WCMC Metabolomics Core"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF Accurate Mass QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"8 L/min","DRY_GAS_TEMP":"325 C","FRAGMENT_VOLTAGE":"120","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"325 C","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Pos","PRECURSOR_TYPE":"Intact Molecule","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DATAFORMAT":".d","DESOLVATION_GAS_FLOW":"11 L/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750","RESOLUTION_SETTING":"extended dynamic range","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65"},

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

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