{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000346","ANALYSIS_ID":"AN000562","VERSION":"1","CREATED_ON":"February 16, 2016, 4:18 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolites detected from human bronchoalveolar lavage","PROJECT_SUMMARY":"This is a preliminary trial to determine how viable this system will be to use on a much larger number of samples (up to 150). We would like to determine the range, number of metabolite species, and relative concentrations than can be detected in human bronchoalveolar lavage. We would also like to determine how clear the distinction is between the 3 patient groups as this will inform us as to how many of the 150 samples we need to run in the study proper.","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":"Metabolites detected from human bronchoalveolar lavage","STUDY_SUMMARY":"This is a preliminary trial to determine how viable this system will be to use on a much larger number of samples (up to 150). We would like to determine the range, number of metabolite species, and relative concentrations than can be detected in human bronchoalveolar lavage. We would also like to determine how clear the distinction is between the 3 patient groups as this will inform us as to how many of the 150 samples we need to run in the study proper.","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":"8","TOTAL_SUBJECTS":"32"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Mild_5148",
"Sample ID":"BAL_Mild_5148_009",
"Factors":{"Treatment":"Mild Asthma"}
},
{
"Subject ID":"Mild_5965",
"Sample ID":"BAL_Mild_5965_010",
"Factors":{"Treatment":"Mild Asthma"}
},
{
"Subject ID":"Mild_6816",
"Sample ID":"BAL_Mild_6816_008",
"Factors":{"Treatment":"Mild Asthma"}
},
{
"Subject ID":"Mild_7223",
"Sample ID":"BAL_Mild_7223_007",
"Factors":{"Treatment":"Mild Asthma"}
},
{
"Subject ID":"Mild_7693",
"Sample ID":"BAL_Mild_7693_006",
"Factors":{"Treatment":"Mild Asthma"}
},
{
"Subject ID":"Normal_6880",
"Sample ID":"BAL_Normal_7295_012",
"Factors":{"Treatment":"No Asthma"}
},
{
"Subject ID":"Normal_7042",
"Sample ID":"BAL_Normal_6880_015",
"Factors":{"Treatment":"No Asthma"}
},
{
"Subject ID":"Normal_7230",
"Sample ID":"BAL_Normal_7042_014",
"Factors":{"Treatment":"No Asthma"}
},
{
"Subject ID":"Normal_7295",
"Sample ID":"BAL_Normal_7230_013",
"Factors":{"Treatment":"No Asthma"}
},
{
"Subject ID":"Normal_7376",
"Sample ID":"BAL_Normal_7376_011",
"Factors":{"Treatment":"No Asthma"}
},
{
"Subject ID":"Severe_5842",
"Sample ID":"BAL_Severe_5842_005",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Severe_6247",
"Sample ID":"BAL_Severe_6247_004",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Severe_6339",
"Sample ID":"BAL_Severe_6339_003",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Severe_7277",
"Sample ID":"BAL_Severe_7277_002",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Severe_7747",
"Sample ID":"BAL_Severe_7747_001",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Severe_7747",
"Sample ID":"BAL_Severe_7747_007",
"Factors":{"Treatment":"Severe Asthma"}
},
{
"Subject ID":"Biorec01",
"Sample ID":"Kailko_Biorec01",
"Factors":{"Treatment":"Quality Control"}
},
{
"Subject ID":"Biorec01",
"Sample ID":"Kailko_Biorec01_1",
"Factors":{"Treatment":"Quality Control"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"50ml of hospital grade sterile saline was instilled into the lungs of human volunteers. As much liquid as possible is then gently suctioned out. The sample is then centrifuged to remove cellular material and debris, and supernatant collected and frozen at -80C","COLLECTION_PROTOCOL_FILENAME":"StudyDesign-GerardKaiko10202015.pdf","SAMPLE_TYPE":"Bronchoalveolar lavage supernatant"},

"TREATMENT":{"TREATMENT_SUMMARY":"The 3 groups are as follows: 1. Healthy controls (5) 2. Subjects with mild asthma (5) 3. Subjects with severe asthma (5)","TREATMENT_PROTOCOL_FILENAME":"StudyDesign-GerardKaiko10202015.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"None"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 6550","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) 1.7um Pre-Column","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","COLUMN_PRESSURE":"450-850 bar","SAMPLE_INJECTION":"5.0 uL","ANALYTICAL_TIME":"13 min","CAPILLARY_VOLTAGE":"3500","TIME_PROGRAM":"15 min","WEAK_WASH_SOLVENT_NAME":"Isopropanol","WEAK_WASH_VOLUME":"5 seconds","STRONG_WASH_SOLVENT_NAME":"Same","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","DETECTOR_TYPE":"TOF MCP","SOFTWARE_VERSION":"MassHunter","DATA_FORMAT":".d"},

"MS":{"INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs Lipidomics runs are performed in negative and positve mode (two filenames)","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"13 l/min","DRY_GAS_TEMP":"325","FRAGMENT_VOLTAGE":"175","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"200","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Neg","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","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65"},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"iSTD iSTD Ceramide (d18:1/17:0)","BAL_Mild_5148_009":"443557","BAL_Mild_5965_010":"442213","BAL_Mild_6816_008":"376123","BAL_Mild_7223_007":"449033","BAL_Mild_7693_006":"382614","BAL_Normal_7295_012":"403455","BAL_Normal_6880_015":"421214","BAL_Normal_7042_014":"451528","BAL_Normal_7230_013":"397457","BAL_Normal_7376_011":"492660","BAL_Severe_5842_005":"438703","BAL_Severe_6247_004":"387265","BAL_Severe_6339_003":"393591","BAL_Severe_7277_002":"415125","BAL_Severe_7747_007":"388908","Kailko_Biorec01":"241801"},{"Metabolite":"iSTD iSTD Ceramide (d18:1/17:0)","BAL_Mild_5148_009":"1271153","BAL_Mild_5965_010":"1072848","BAL_Mild_6816_008":"887372","BAL_Mild_7223_007":"1163040","BAL_Mild_7693_006":"882888","BAL_Normal_7295_012":"814295","BAL_Normal_6880_015":"967612","BAL_Normal_7042_014":"1042599","BAL_Normal_7230_013":"927151","BAL_Normal_7376_011":"1270344","BAL_Severe_5842_005":"1057501","BAL_Severe_6247_004":"915746","BAL_Severe_6339_003":"948620","BAL_Severe_7277_002":"1038830","BAL_Severe_7747_007":"968410","Kailko_Biorec01":"236749"},{"Metabolite":"iSTD iSTD CUDA","BAL_Mild_5148_009":"36435","BAL_Mild_5965_010":"33679","BAL_Mild_6816_008":"28637","BAL_Mild_7223_007":"75586","BAL_Mild_7693_006":"32048","BAL_Normal_7295_012":"29408","BAL_Normal_6880_015":"27225","BAL_Normal_7042_014":"31425","BAL_Normal_7230_013":"33127","BAL_Normal_7376_011":"35461","BAL_Severe_5842_005":"33929","BAL_Severe_6247_004":"70999","BAL_Severe_6339_003":"29456","BAL_Severe_7277_002":"67964","BAL_Severe_7747_007":"74038","Kailko_Biorec01":"27162"},{"Metabolite":"iSTD iSTD FA 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iSTD MAG (17:0/0:0/0:0)","BAL_Mild_5148_009":"2682641","BAL_Mild_5965_010":"2432660","BAL_Mild_6816_008":"2116966","BAL_Mild_7223_007":"2481059","BAL_Mild_7693_006":"2244589","BAL_Normal_7295_012":"2184267","BAL_Normal_6880_015":"2319623","BAL_Normal_7042_014":"2470961","BAL_Normal_7230_013":"2195521","BAL_Normal_7376_011":"2671705","BAL_Severe_5842_005":"2424471","BAL_Severe_6247_004":"2243811","BAL_Severe_6339_003":"2288692","BAL_Severe_7277_002":"2425993","BAL_Severe_7747_007":"2227493","Kailko_Biorec01":"845424"},{"Metabolite":"iSTD iSTD PC (12:0/13:0)","BAL_Mild_5148_009":"10841","BAL_Mild_5965_010":"10243","BAL_Mild_6816_008":"8176","BAL_Mild_7223_007":"10793","BAL_Mild_7693_006":"9562","BAL_Normal_7295_012":"8955","BAL_Normal_6880_015":"9567","BAL_Normal_7042_014":"10678","BAL_Normal_7230_013":"9312","BAL_Normal_7376_011":"12285","BAL_Severe_5842_005":"10396","BAL_Severe_6247_004":"9113","BAL_Severe_6339_003":"9433","BAL_Severe_7277_002":"9763","BAL_Severe_7747_007":"8841","Kailko_Biorec01":"2988"},{"Metabolite":"iSTD iSTD PE 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(17:0/17:0)","BAL_Mild_5148_009":"750728","BAL_Mild_5965_010":"624090","BAL_Mild_6816_008":"567355","BAL_Mild_7223_007":"723298","BAL_Mild_7693_006":"586317","BAL_Normal_7295_012":"601555","BAL_Normal_6880_015":"604910","BAL_Normal_7042_014":"720303","BAL_Normal_7230_013":"586938","BAL_Normal_7376_011":"701207","BAL_Severe_5842_005":"631423","BAL_Severe_6247_004":"577510","BAL_Severe_6339_003":"597161","BAL_Severe_7277_002":"613547","BAL_Severe_7747_007":"587442","Kailko_Biorec01":"754105"},{"Metabolite":"iSTD iSTD SM 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A","BAL_Mild_5148_009":"988","BAL_Mild_5965_010":"3952","BAL_Mild_6816_008":"649","BAL_Mild_7223_007":"8868","BAL_Mild_7693_006":"6187","BAL_Normal_7295_012":"5261","BAL_Normal_6880_015":"3431","BAL_Normal_7042_014":"12623","BAL_Normal_7230_013":"6693","BAL_Normal_7376_011":"6192","BAL_Severe_5842_005":"9265","BAL_Severe_6247_004":"5562","BAL_Severe_6339_003":"1533","BAL_Severe_7277_002":"8847","BAL_Severe_7747_007":"2623","Kailko_Biorec01":"34296"},{"Metabolite":"FA (18:2)","BAL_Mild_5148_009":"6681","BAL_Mild_5965_010":"11953","BAL_Mild_6816_008":"2218","BAL_Mild_7223_007":"22044","BAL_Mild_7693_006":"18954","BAL_Normal_7295_012":"11888","BAL_Normal_6880_015":"12534","BAL_Normal_7042_014":"85796","BAL_Normal_7230_013":"24050","BAL_Normal_7376_011":"20284","BAL_Severe_5842_005":"29832","BAL_Severe_6247_004":"17505","BAL_Severe_6339_003":"4566","BAL_Severe_7277_002":"15757","BAL_Severe_7747_007":"29481","Kailko_Biorec01":"542517"},{"Metabolite":"FA (20:4)","BAL_Mild_5148_009":"837","BAL_Mild_5965_010":"1764","BAL_Mild_6816_008":"218","BAL_Mild_7223_007":"2656","BAL_Mild_7693_006":"4739","BAL_Normal_7295_012":"2098","BAL_Normal_6880_015":"1582","BAL_Normal_7042_014":"11114","BAL_Normal_7230_013":"3202","BAL_Normal_7376_011":"3624","BAL_Severe_5842_005":"5749","BAL_Severe_6247_004":"6346","BAL_Severe_6339_003":"406","BAL_Severe_7277_002":"3562","BAL_Severe_7747_007":"3028","Kailko_Biorec01":"100590"},{"Metabolite":"GlcCer(d14:1(4E)/20:0(2OH))","BAL_Mild_5148_009":"6986","BAL_Mild_5965_010":"7116","BAL_Mild_6816_008":"351","BAL_Mild_7223_007":"8994","BAL_Mild_7693_006":"6545","BAL_Normal_7295_012":"6106","BAL_Normal_6880_015":"5314","BAL_Normal_7042_014":"9380","BAL_Normal_7230_013":"7195","BAL_Normal_7376_011":"8662","BAL_Severe_5842_005":"7314","BAL_Severe_6247_004":"3403","BAL_Severe_6339_003":"809","BAL_Severe_7277_002":"4255","BAL_Severe_7747_007":"2597","Kailko_Biorec01":"13042"},{"Metabolite":"PC (32:0)","BAL_Mild_5148_009":"38760","BAL_Mild_5965_010":"123687","BAL_Mild_6816_008":"11868","BAL_Mild_7223_007":"303751","BAL_Mild_7693_006":"107622","BAL_Normal_7295_012":"153662","BAL_Normal_6880_015":"110025","BAL_Normal_7042_014":"286488","BAL_Normal_7230_013":"152748","BAL_Normal_7376_011":"195013","BAL_Severe_5842_005":"125869","BAL_Severe_6247_004":"88507","BAL_Severe_6339_003":"30030","BAL_Severe_7277_002":"90375","BAL_Severe_7747_007":"77575","Kailko_Biorec01":"8614"},{"Metabolite":"PC (32:1)","BAL_Mild_5148_009":"7839","BAL_Mild_5965_010":"53919","BAL_Mild_6816_008":"1191","BAL_Mild_7223_007":"68058","BAL_Mild_7693_006":"38894","BAL_Normal_7295_012":"69746","BAL_Normal_6880_015":"50863","BAL_Normal_7042_014":"44875","BAL_Normal_7230_013":"63787","BAL_Normal_7376_011":"40971","BAL_Severe_5842_005":"39820","BAL_Severe_6247_004":"41141","BAL_Severe_6339_003":"4563","BAL_Severe_7277_002":"30037","BAL_Severe_7747_007":"25156","Kailko_Biorec01":"3774"},{"Metabolite":"PC 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