{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000118","ANALYSIS_ID":"AN000199","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of multiple metabolic functions in the YjgF/YER057c/UK114 protein family","PROJECT_SUMMARY":"-","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"451 Health Sciences Drive, Davis, California 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"-","FUNDING_SOURCE":"U.S. National Science Foundation award MCB-1153413"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of multiple metabolic functions in the YjgF/YER057c/UK114 protein family GCMS (part 2)","STUDY_TYPE":"wildtype vs knock-out","STUDY_SUMMARY":"Metabolomics analysis of wild-type S. enterica, single RidA knock-out and Rid (ridA Rid2 Rid7) knock-out S.enterica cells","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"ElBadawi-Sidhu","FIRST_NAME":"Mona","ADDRESS":"451 Health Sciences Drive, Davis, California 95616, USA","EMAIL":"mmelbadawi@ucdavis.edu","PHONE":"-","NUM_GROUPS":"5","TOTAL_SUBJECTS":"6","STUDY_COMMENTS":"One sample missing (A6)"},

"SUBJECT":{"SUBJECT_TYPE":"Bacterial cells","SUBJECT_SPECIES":"Salmonella enterica;Escherichia coli","GENOTYPE_STRAIN":"DM3480|DM14100|Salmonella enterica subsp. enterica serovar Typhimurium str. 12 MG1655| |yjeF::kan","SPECIES_GROUP":"Microorganism"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"140721bjlsa05_1",
"Factors":{"Strain":"E. coli","Genotype":"WT E. coli"},
"Additional sample data":{"File ID":"140721bjlsa33_1","MX Class":"184540","MX Sample":"184542","label":"D2"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa42_1",
"Factors":{"Strain":"E. coli","Genotype":"WT E. coli"},
"Additional sample data":{"File ID":"140721bjlsa21_1","MX Class":"184540","MX Sample":"184544","label":"D4"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa46_1",
"Factors":{"Strain":"E. coli","Genotype":"WT E. coli"},
"Additional sample data":{"File ID":"140721bjlsa09_1","MX Class":"184540","MX Sample":"184543","label":"D3"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa50_1",
"Factors":{"Strain":"E. coli","Genotype":"WT E. coli"},
"Additional sample data":{"File ID":"140721bjlsa19_1","MX Class":"184540","MX Sample":"184541","label":"D1"}
},
{
"Subject ID":"-",
"Sample ID":"140722bjlsa07_1",
"Factors":{"Strain":"E. coli","Genotype":"WT E. coli"},
"Additional sample data":{"File ID":"140721bjlsa47_1","MX Class":"184540","MX Sample":"184545","label":"D5"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa03_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140722bjlsa10_1","MX Class":"184527","MX Sample":"184528","label":"E1"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa08_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140721bjlsa23_1","MX Class":"184527","MX Sample":"184529","label":"E2"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa12_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140721bjlsa15_1","MX Class":"184527","MX Sample":"184530","label":"E3"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa34_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140721bjlsa44_1","MX Class":"184527","MX Sample":"184532","label":"E5"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa36_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140722bjlsa06_1","MX Class":"184540","MX Sample":"184546","label":"D6"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa38_1",
"Factors":{"Strain":"E. coli","Genotype":"yjeF KO"},
"Additional sample data":{"File ID":"140722bjlsa04_1","MX Class":"184527","MX Sample":"184531","label":"E4"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa09_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa34_1","MX Class":"184501","MX Sample":"184507","label":"B6"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa19_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa36_1","MX Class":"184501","MX Sample":"184506","label":"B5"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa21_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa08_1","MX Class":"184501","MX Sample":"184505","label":"B4"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa33_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa03_1","MX Class":"184501","MX Sample":"184502","label":"B1"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa47_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa12_1","MX Class":"184501","MX Sample":"184504","label":"B3"}
},
{
"Subject ID":"-",
"Sample ID":"140722bjlsa06_1",
"Factors":{"Strain":"S. enterica","Genotype":"single RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa38_1","MX Class":"184501","MX Sample":"184503","label":"B2"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa15_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa25_1","MX Class":"184553","MX Sample":"184556","label":"C3"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa17_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa24_1","MX Class":"184553","MX Sample":"184557","label":"C4"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa23_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa45_1","MX Class":"184553","MX Sample":"184554","label":"C1"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa44_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140722bjlsa02_1","MX Class":"184553","MX Sample":"184558","label":"C5"}
},
{
"Subject ID":"-",
"Sample ID":"140722bjlsa04_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa22_1","MX Class":"184553","MX Sample":"184559","label":"C6"}
},
{
"Subject ID":"-",
"Sample ID":"140722bjlsa10_1",
"Factors":{"Strain":"S. enterica","Genotype":"triple RidA KO"},
"Additional sample data":{"File ID":"140721bjlsa06_1","MX Class":"184553","MX Sample":"184555","label":"C2"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa06_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140721bjlsa17_1","MX Class":"184527","MX Sample":"184533","label":"E6"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa22_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140721bjlsa42_1","MX Class":"184514","MX Sample":"184515","label":"A1"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa24_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140722bjlsa07_1","MX Class":"184514","MX Sample":"184517","label":"A3"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa25_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140721bjlsa05_1","MX Class":"184514","MX Sample":"184518","label":"A4"}
},
{
"Subject ID":"-",
"Sample ID":"140721bjlsa45_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140721bjlsa46_1","MX Class":"184514","MX Sample":"184519","label":"A5"}
},
{
"Subject ID":"-",
"Sample ID":"140722bjlsa02_1",
"Factors":{"Strain":"S. enterica","Genotype":"WT S. enterica"},
"Additional sample data":{"File ID":"140721bjlsa50_1","MX Class":"184514","MX Sample":"184516","label":"A2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","SAMPLE_TYPE":"Bacterial Cells","COLLECTION_METHOD":"6 independent colonies of each cell line were grown in M9 minimal medium at 37C OD600 reached 1.5-2.0. An equivalent of 1 mL at OD 2.0 was placed into a 1.5 mL tube and spun for 15 sec. After removal of a 0.5 mL medium aliquot, remaining was removed and cell pellet was frozen in liquid nitrogen.","COLLECTION_LOCATION":"University of Florida, Gainesville","COLLECTION_VIALS":"1.5 mL eppendorf tube","STORAGE_VIALS":"1.5 mL eppendorf tube"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","EXTRACTION_METHOD":"1 mL of cold, degassed extraction solvent (3:3:2 acetonitrile:isopropanol:water was added to each sample, vortexed for 10 seconds, then shaken at 4C for 4 min. were spun down using a centrifuge at 14 rcf for 2 min. Aliquots (450 uL) were to 1.5 mL eppendorf tubes and dried down using a Labconco centrivap evaporator.","EXTRACT_STORAGE":"-80C","SAMPLE_DERIVATIZATION":"10 uL of 40 mg/mL methoxyamine hydrochloride in pyridine was added to room samples and shaken for 90 min at 30C. 91 uL of silyating agent (MSTFA) a set of 13 C8 - C30 fatty acid methyl ester internal standards was added and were shaken for 30 min at 37C. Derivatized samples were transferred to glass with inserts for analysis.","SAMPLE_SPIKING":"Set of 13 C8 - C30 fatty acid methyl esters (FAMES)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untargeted GC MS","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Restek corporation Rtx-5Sil MS","METHODS_FILENAME":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","COLUMN_TEMPERATURE":"50-330oC","FLOW_RATE":"1ml/min","INTERNAL_STANDARD":"fatty acid methyl esters","SAMPLE_INJECTION":"0.5uL","OVEN_TEMPERATURE":"50C for 1 min, then ramped at 20C min-1 to 330C, held constant for 5 min","TRANSFERLINE_TEMPERATURE":"280C","WASHING_BUFFER":"Ethyl Acetate","SAMPLE_LOOP_SIZE":"30 m length x 0.25 mm internal diameter","RANDOMIZATION_ORDER":"Excel generated"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Fiehn Laboratory","ACQUISITION_DATE":"07/2014 and 08/2014","ACQUISITION_PARAMETERS_FILE":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","SOFTWARE_VERSION":"ChromaTOF","PROCESSING_PARAMETERS_FILE":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","DETECTOR_TYPE":"TOF","DATA_FORMAT":".peg, .txt, .cdf"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus III GC TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","ION_SOURCE_TEMPERATURE":"250°C","IONIZATION":"Electron Ionization (EI)","IONIZATION_ENERGY":"-70eV","MASS_ACCURACY":"Nominal","SCANNING_RANGE":"85-500 Da","MS_COMMENTS":"GCMS"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"1_5-anhydroglucitol","140721bjlsa05_1":"103.0000","140721bjlsa42_1":"300.0000","140721bjlsa46_1":"109.0000","140721bjlsa50_1":"53.0000","140722bjlsa07_1":"64.0000","140721bjlsa03_1":"63.0000","140721bjlsa08_1":"109.0000","140721bjlsa12_1":"94.0000","140721bjlsa34_1":"65.0000","140721bjlsa36_1":"275.0000","140721bjlsa38_1":"81.0000","140721bjlsa09_1":"45.0000","140721bjlsa19_1":"529.0000","140721bjlsa21_1":"475.0000","140721bjlsa33_1":"515.0000","140721bjlsa47_1":"65.0000","140722bjlsa06_1":"160.0000","140721bjlsa15_1":"814.0000","140721bjlsa17_1":"353.0000","140721bjlsa23_1":"341.0000","140721bjlsa44_1":"31.0000","140722bjlsa04_1":"80.0000","140722bjlsa10_1":"311.0000","140721bjlsa06_1":"558.0000","140721bjlsa22_1":"292.0000","140721bjlsa24_1":"50.0000","140721bjlsa25_1":"56.0000","140721bjlsa45_1":"261.0000","140722bjlsa02_1":"338.0000"},{"Metabolite":"1-monopalmitin","140721bjlsa05_1":"643.0000","140721bjlsa42_1":"506.0000","140721bjlsa46_1":"469.0000","140721bjlsa50_1":"337.0000","140722bjlsa07_1":"514.0000","140721bjlsa03_1":"831.0000","140721bjlsa08_1":"598.0000","140721bjlsa12_1":"598.0000","140721bjlsa34_1":"523.0000","140721bjlsa36_1":"438.0000","140721bjlsa38_1":"436.0000","140721bjlsa09_1":"448.0000","140721bjlsa19_1":"419.0000","140721bjlsa21_1":"435.0000","140721bjlsa33_1":"568.0000","140721bjlsa47_1":"368.0000","140722bjlsa06_1":"339.0000","140721bjlsa15_1":"366.0000","140721bjlsa17_1":"380.0000","140721bjlsa23_1":"507.0000","140721bjlsa44_1":"379.0000","140722bjlsa04_1":"424.0000","140722bjlsa10_1":"300.0000","140721bjlsa06_1":"440.0000","140721bjlsa22_1":"642.0000","140721bjlsa24_1":"420.0000","140721bjlsa25_1":"283.0000","140721bjlsa45_1":"644.0000","140722bjlsa02_1":"303.0000"},{"Metabolite":"1-monostearin","140721bjlsa05_1":"402.0000","140721bjlsa42_1":"410.0000","140721bjlsa46_1":"365.0000","140721bjlsa50_1":"227.0000","140722bjlsa07_1":"477.0000","140721bjlsa03_1":"318.0000","140721bjlsa08_1":"381.0000","140721bjlsa12_1":"301.0000","140721bjlsa34_1":"283.0000","140721bjlsa36_1":"283.0000","140721bjlsa38_1":"329.0000","140721bjlsa09_1":"336.0000","140721bjlsa19_1":"303.0000","140721bjlsa21_1":"283.0000","140721bjlsa33_1":"354.0000","140721bjlsa47_1":"289.0000","140722bjlsa06_1":"259.0000","140721bjlsa15_1":"269.0000","140721bjlsa17_1":"341.0000","140721bjlsa23_1":"321.0000","140721bjlsa44_1":"234.0000","140722bjlsa04_1":"338.0000","140722bjlsa10_1":"282.0000","140721bjlsa06_1":"284.0000","140721bjlsa22_1":"340.0000","140721bjlsa24_1":"247.0000","140721bjlsa25_1":"245.0000","140721bjlsa45_1":"323.0000","140722bjlsa02_1":"193.0000"},{"Metabolite":"2_5-dihydroxypyrazine NIST","140721bjlsa05_1":"2478.0000","140721bjlsa42_1":"2171.0000","140721bjlsa46_1":"2229.0000","140721bjlsa50_1":"1074.0000","140722bjlsa07_1":"2246.0000","140721bjlsa03_1":"3014.0000","140721bjlsa08_1":"2812.0000","140721bjlsa12_1":"2711.0000","140721bjlsa34_1":"1494.0000","140721bjlsa36_1":"2198.0000","140721bjlsa38_1":"3642.0000","140721bjlsa09_1":"2472.0000","140721bjlsa19_1":"2069.0000","140721bjlsa21_1":"517.0000","140721bjlsa33_1":"2138.0000","140721bjlsa47_1":"2584.0000","140722bjlsa06_1":"1432.0000","140721bjlsa15_1":"1392.0000","140721bjlsa17_1":"1114.0000","140721bjlsa23_1":"1266.0000","140721bjlsa44_1":"741.0000","140722bjlsa04_1":"1502.0000","140722bjlsa10_1":"1164.0000","140721bjlsa06_1":"3210.0000","140721bjlsa22_1":"1978.0000","140721bjlsa24_1":"1955.0000","140721bjlsa25_1":"2064.0000","140721bjlsa45_1":"952.0000","140722bjlsa02_1":"1781.0000"},{"Metabolite":"2-hydroxybutanoic acid","140721bjlsa05_1":"952.0000","140721bjlsa42_1":"519.0000","140721bjlsa46_1":"790.0000","140721bjlsa50_1":"285.0000","140722bjlsa07_1":"661.0000","140721bjlsa03_1":"752.0000","140721bjlsa08_1":"581.0000","140721bjlsa12_1":"911.0000","140721bjlsa34_1":"615.0000","140721bjlsa36_1":"742.0000","140721bjlsa38_1":"533.0000","140721bjlsa09_1":"188.0000","140721bjlsa19_1":"315.0000","140721bjlsa21_1":"213.0000","140721bjlsa33_1":"241.0000","140721bjlsa47_1":"249.0000","140722bjlsa06_1":"293.0000","140721bjlsa15_1":"230.0000","140721bjlsa17_1":"285.0000","140721bjlsa23_1":"258.0000","140721bjlsa44_1":"158.0000","140722bjlsa04_1":"1547.0000","140722bjlsa10_1":"296.0000","140721bjlsa06_1":"100.0000","140721bjlsa22_1":"290.0000","140721bjlsa24_1":"124.0000","140721bjlsa25_1":"105.0000","140721bjlsa45_1":"225.0000","140722bjlsa02_1":"190.0000"},{"Metabolite":"2-hydroxyglutaric 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