{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000625","ANALYSIS_ID":"AN000957","VERSION":"1","CREATED_ON":"June 23, 2017, 10:34 am"},

"PROJECT":{"PROJECT_TITLE":"A strategy for producing a searchable bronchoalveolar lavage fluid compound database","PROJECT_TYPE":"MS","PROJECT_SUMMARY":"Comprehensive metabolomic databases for Lipid(+/-) and Aqueous(+) fractions of BALF assembled from a mouse and human COPD experiment.","INSTITUTE":"University of Colorado, Denver","DEPARTMENT":"Pharmaceutical Sciences, Anschutz Medical Campus","LABORATORY":"Metabolomics and Mass Spectrometry","LAST_NAME":"Residorph","FIRST_NAME":"Nichole","ADDRESS":"12850 East Montview Blvd, Denver, CO 80204","EMAIL":"nichole.reisdorph@ucdenver.edu","PHONE":"-","FUNDING_SOURCE":"P20-HL113445 Metabolic Profiles of COPD phenotypes"},

"STUDY":{"STUDY_TITLE":"Non targeted metabolomic analysis of mouse and human bronchoalveolar lavage fluid, Aqueous(+) experiment (part I)","STUDY_TYPE":"Comprehensive profile","STUDY_SUMMARY":"Mouse BALF was collected from C57BL/6 mice (n = 10). Five mice were exposed to ambient air for one day (air control) and five mice were exposed to CS for nine months (smoking). Human BALF was collected from subjects from the COPDGene cohort (n = 5). COPD diagnosis was based on the ratio of forced expiratory volume in 1 second to forced vital capacity (FEV1/FVC). Subjects were 45-70 years old, BMI 27-45, weight 76-125kg, and were categorized as follows: 1 male former smoker without COPD (FEV1/FVC = 0.82), 2 male current smokers without COPD (FEV1/FVC = 0.91 and 0.79), 1 female current smoker with moderate COPD (FEV1/FVC = 0.51), and 1 male current smoker with moderate COPD (FEV1/FVC = 0.64).","INSTITUTE":"University of Colorado Anschutz Medical Campus","DEPARTMENT":"Pharmaceutical Sciences","LABORATORY":"Metabolomics and Mass Spectrometry","LAST_NAME":"Residorph","FIRST_NAME":"Nichole","ADDRESS":"12850 East Montview Blvd, Denver, CO 80204","EMAIL":"nichole.reisdorph@ucdenver.edu","PHONE":"-","NUM_GROUPS":"2","TOTAL_SUBJECTS":"15"},

"SUBJECT":{"SUBJECT_TYPE":"Human;Animal","SUBJECT_SPECIES":"Homo sapiens;Mus musculus","TAXONOMY_ID":"9606 | 10093","GENOTYPE_STRAIN":"Animal: C57BL/6"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"10031R",
"Sample ID":"HBAL_10031R",
"Factors":{"Species":"Human","SmokingStatus":"Smoker","Phenotype":"COPD"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"11833G",
"Sample ID":"HBAL_11833G",
"Factors":{"Species":"Human","SmokingStatus":"Former smoker","Phenotype":"Moderate"},
"Additional sample data":{"Gender":"M"}
},
{
"Subject ID":"12558P",
"Sample ID":"HBAL_12558P",
"Factors":{"Species":"Human","SmokingStatus":"Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"M"}
},
{
"Subject ID":"14442G",
"Sample ID":"HBAL_14442G",
"Factors":{"Species":"Human","SmokingStatus":"Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"M"}
},
{
"Subject ID":"17800V",
"Sample ID":"HBAL_17800V",
"Factors":{"Species":"Human","SmokingStatus":"Smoker","Phenotype":"COPD"},
"Additional sample data":{"Gender":"M"}
},
{
"Subject ID":"MET106",
"Sample ID":"MBAL_MET106",
"Factors":{"Species":"Mouse","SmokingStatus":"Smoker","Phenotype":"Emphysema"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET107",
"Sample ID":"MBAL_MET107",
"Factors":{"Species":"Mouse","SmokingStatus":"Smoker","Phenotype":"Emphysema"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET108",
"Sample ID":"MBAL_MET108",
"Factors":{"Species":"Mouse","SmokingStatus":"Smoker","Phenotype":"Emphysema"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET126",
"Sample ID":"MBAL_MET126",
"Factors":{"Species":"Mouse","SmokingStatus":"Smoker","Phenotype":"Emphysema"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET128",
"Sample ID":"MBAL_MET128",
"Factors":{"Species":"Mouse","SmokingStatus":"Smoker","Phenotype":"Emphysema"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET133",
"Sample ID":"MBAL_MET133",
"Factors":{"Species":"Mouse","SmokingStatus":"Non-Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET141",
"Sample ID":"MBAL_MET141",
"Factors":{"Species":"Mouse","SmokingStatus":"Non-Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET142",
"Sample ID":"MBAL_MET142",
"Factors":{"Species":"Mouse","SmokingStatus":"Non-Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET143",
"Sample ID":"MBAL_MET143",
"Factors":{"Species":"Mouse","SmokingStatus":"Non-Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"F"}
},
{
"Subject ID":"MET144",
"Sample ID":"MBAL_MET144",
"Factors":{"Species":"Mouse","SmokingStatus":"Non-Smoker","Phenotype":"Healthy"},
"Additional sample data":{"Gender":"F"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mouse BALF collection was performed using a total of 1.0 mL PBS divided into three washes and stored at -80°C until analysis. Human BALF was collected in the right middle lobe and lingual by instilling two aliquots of 40 mL and one aliquot of 50 mL of sterile saline per lobe (i.e., 130 mL per lobe, total volume = 260 mL per subject), which is withdrawn by gentle manual suction and immediately placed on ice. Aliquots for metabolomics analysis were frozen at -80 °C and stored until sample preparation and MS analysis.","SAMPLE_TYPE":"BALF","COLLECTION_METHOD":"Broncheoalveolar lavage"},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"200uL of BALF was prepared using methanol assisted protein precipitation followed by methyl-tert butyl ether (MTBE) liquid-liquid extraction. The aqueous fraction was dried down in a SpeedVac at 45°C, then reconstituted in 50 µL of 95:5 water:acetonitrile."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Analysis of the aqueous fraction was by reversed-phase chromatography using an Agilent 1200 series pump with an Agilent Zorbax Narrow Bore RRHT SB-AQ (1.8 micron, 2.1 x 100 mm, 80Å) analytical column and an Agilent Zorbax SB-AQ (5 micron, 2.1 x 12.5 mm) guard column. Sample injection volumes were 10 µL. A flow rate of 0.3ml/min was used with the following mobile phases: mobile phase A was water with 0.1% formic acid, and mobile phase B was 90:10 acetonitrile:water with 0.1% formic acid. Gradient elution was as follows: 0-3 minutes 2% B, 3-5 minutes 2-40% B, 5-20 minutes 40-100% B, 20-30 minutes 100% B, 30-30.01 100-2% B, 30.01-40 minutes 2% B.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1200","COLUMN_NAME":"Agilent Zorbax Narrow Bore RRHT RRHD SB-AQ (100 x 2.1mm, 1.8um) analytical column and an Agilent Zorbax SB-AQ (5 micron, 2.1 x 12.5 mm) guard column","FLOW_RATE":"0.3ml/min"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6520 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"4000V","DESOLVATION_GAS_FLOW":"10L/min","DESOLVATION_TEMPERATURE":"300C","MS_RESULTS_FILE":"ST000625_AN000957_Results.txt UNITS:peak intensity"}

}