{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001394","ANALYSIS_ID":"AN002332","VERSION":"1","CREATED_ON":"June 8, 2020, 12:10 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic analysis of Escherichia coli K-12 MG1655","PROJECT_TYPE":"Metabolomics","PROJECT_SUMMARY":"Metabolomic analysis of Wildtype, crp mutant and its five adaptively evolved populations evolved in glucose minimal media with 40 mM MOPS during its exponential phase of growth. Three biological and two technical replicate samples (n=6) were harvested for each of the strains while growing in a bioreactor aerobically at 37 degree Celsius and 700 rpm. This study aims to characterize and compare the metabolic profile of all these strains.","INSTITUTE":"IIT Bombay","DEPARTMENT":"Department of Chemical Engineering","LABORATORY":"Systems Biology and Metabolic Engineering Laboratory","LAST_NAME":"Pal","FIRST_NAME":"Ankita","ADDRESS":"IIT Bombay, Powai, Mumbai- 400076, Maharashtra, India","EMAIL":"pal.ankita90@gmail.com","PHONE":"08879536816"},

"STUDY":{"STUDY_TITLE":"Metabolomic study of Escherichia coli K-12 MG1655 and mutants","STUDY_TYPE":"Metabolomics","STUDY_SUMMARY":"Metabolomic analysis of Wildtype, crp mutant and its five adaptively evolved populations evolved in glucose minimal media with 40 mM MOPS during its exponential phase of growth. Three biological and two technical replicate samples (n=6) were harvested for each of the strains while growing in a bioreactor aerobically at 37 degree Celsius and 700 rpm. This study aims to characterize and compare the metabolic profile of all these strains.","INSTITUTE":"IIT Bombay","DEPARTMENT":"Department of Chemical Engineering","LABORATORY":"Systems Biology and Metabolic Engineering Laboratory","LAST_NAME":"Pal","FIRST_NAME":"Ankita","ADDRESS":"IIT Bombay, Powai, Mumbai - 400076, Maharashtra, India","EMAIL":"pal.ankita90@gmail.com","PHONE":"08879536816"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Escherichia coli","TAXONOMY_ID":"562","GENOTYPE_STRAIN":"K-12 MG1655"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Wild-type_1",
"Sample ID":"WT_1",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_1.RAW"}
},
{
"Subject ID":"Wild-type_2",
"Sample ID":"WT_2",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_2.RAW"}
},
{
"Subject ID":"Wild-type_3",
"Sample ID":"WT_3",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_3.RAW"}
},
{
"Subject ID":"Wild-type_4",
"Sample ID":"WT_4",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_4.RAW"}
},
{
"Subject ID":"Wild-type_5",
"Sample ID":"WT_5",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_5.RAW"}
},
{
"Subject ID":"Wild-type_6",
"Sample ID":"WT_6",
"Factors":{"Genotype":"Wildtype"},
"Additional sample data":{"RAW_FILE_NAME":"WT_6.RAW"}
},
{
"Subject ID":"CRP-knockout_1",
"Sample ID":"Crp_1",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_1.RAW"}
},
{
"Subject ID":"CRP-knockout_2",
"Sample ID":"Crp_2",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_2.RAW"}
},
{
"Subject ID":"CRP-knockout_3",
"Sample ID":"Crp_3",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_3.RAW"}
},
{
"Subject ID":"CRP-knockout_4",
"Sample ID":"Crp_4",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_4.RAW"}
},
{
"Subject ID":"CRP-knockout_5",
"Sample ID":"Crp_5",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_5.RAW"}
},
{
"Subject ID":"CRP-knockout_6",
"Sample ID":"Crp_6",
"Factors":{"Genotype":"Parent"},
"Additional sample data":{"RAW_FILE_NAME":"Crp_6.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_1",
"Sample ID":"Evocrp1_1",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_1.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_2",
"Sample ID":"Evocrp1_2",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_2.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_3",
"Sample ID":"Evocrp1_3",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_3.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_4",
"Sample ID":"Evocrp1_4",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_4.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_5",
"Sample ID":"Evocrp1_5",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_5.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 1_6",
"Sample ID":"Evocrp1_6",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp1_6.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_1",
"Sample ID":"Evocrp2_1",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_1.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_2",
"Sample ID":"Evocrp2_2",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_2.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_3",
"Sample ID":"Evocrp2_3",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_3.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_4",
"Sample ID":"Evocrp2_4",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_4.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_5",
"Sample ID":"Evocrp2_5",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_5.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 2_6",
"Sample ID":"Evocrp2_6",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp2_6.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_1",
"Sample ID":"Evocrp3_1",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_1.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_2",
"Sample ID":"Evocrp3_2",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_2.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_3",
"Sample ID":"Evocrp3_3",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_3.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_4",
"Sample ID":"Evocrp3_4",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_4.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_5",
"Sample ID":"Evocrp3_5",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_5.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 3_6",
"Sample ID":"Evocrp3_6",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp3_6.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_1",
"Sample ID":"Evocrp4_1",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_1.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_2",
"Sample ID":"Evocrp4_2",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_2.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_3",
"Sample ID":"Evocrp4_3",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_3.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_4",
"Sample ID":"Evocrp4_4",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_4.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_5",
"Sample ID":"Evocrp4_5",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_5.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 4_6",
"Sample ID":"Evocrp4_6",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp4_6.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_1",
"Sample ID":"Evocrp5_1",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_1.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_2",
"Sample ID":"Evocrp5_2",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_2.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_3",
"Sample ID":"Evocrp5_3",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_3.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_4",
"Sample ID":"Evocrp5_4",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_4.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_5",
"Sample ID":"Evocrp5_5",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_5.RAW"}
},
{
"Subject ID":"CRP-knockout Evolved Population 5_6",
"Sample ID":"Evocrp5_6",
"Factors":{"Genotype":"Evolved"},
"Additional sample data":{"RAW_FILE_NAME":"Evocrp5_6.RAW"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The Wildtype, crp mutant and the five evolved replicate populations were grown in a bioreactor aerobically in glucose minimal media with 40 mM MOPS at 37 degrees Celsius and 700 rpm. The samples were harvested during its exponential phase of growth for three biological and two technical replicates (n=6). The metabolites were extracted using the Methanol-Chloroform-Water method. Detailed sample collection protocol is described in “extraction_method.pdf”.","SAMPLE_TYPE":"Bacterial cells","COLLECTION_METHOD":"Methanol-Chloroform-Water method","COLLECTION_LOCATION":"IIT Bombay, Powai, Mumbai- 400076, Mumbai, Maharashtra","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"The Wildtype, crp mutant and the five evolved replicate populations were grown in a bioreactor aerobically in glucose minimal media with 40 mM MOPS at 37 degrees Celsius and 700 rpm. The metabolites were extracted at expoential phase to characterize and compare the metabolic profiles of all the strains.","CELL_GROWTH_CONTAINER":"Bioreactor","CELL_MEDIA":"M9 + Glucose + 40 mM MOPS","CELL_ENVIR_COND":"37 degrees Celsius, 700 rpm"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were extracted from the Wildtype, crp mutant and the five evolved replicate population, grown in a bioreactor aerobically in glucose minimal media with 40 mM MOPS at 37 degrees Celsius and 700 rpm. The metabolites were extracted using the Methanol-Chloroform-Water method. The samples were spiked with an equal volume of 13C-labelled internal standard taken from the same batch at an earlier stage to prevent to account for losses due to metabolite degradation and to enable robust quantification circumventing the ion-suppression effects."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The detailed chromatography and MS protocol has been described in ms_method.pdf file.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"SeQuant ZIC-HILIC (150 x 2.1mm, 5um)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Data acquisition done using parent ion MS intensities. Peak height used for processing. Xcalibur 4.3.73.11 used for data analysis and peak integration"},

"MS_METABOLITE_DATA":{
"Units":"Height ratio/gDCW",

"Data":[{"Metabolite":"Leucine","WT_1":"0.753040153","WT_2":"0.965358933","WT_3":"1.2744693","WT_4":"1.382546346","WT_5":"0.904619928","WT_6":"0.922430037","Crp_1":"2.030149845","Crp_2":"1.745384285","Crp_3":"1.453685764","Crp_4":"2.027128292","Crp_5":"2.48866209","Crp_6":"2.086263148","Evocrp1_1":"2.211152814","Evocrp1_2":"2.047506994","Evocrp1_3":"2.116961658","Evocrp1_4":"2.059997118","Evocrp1_5":"1.721185159","Evocrp1_6":"1.878934776","Evocrp2_1":"2.594171087","Evocrp2_2":"2.522841393","Evocrp2_3":"1.580803861","Evocrp2_4":"1.553090632","Evocrp2_5":"2.592595527","Evocrp2_6":"1.748608852","Evocrp3_1":"1.359006361","Evocrp3_2":"1.428705782","Evocrp3_3":"1.450897575","Evocrp3_4":"1.476530119","Evocrp3_5":"1.537025194","Evocrp3_6":"1.51095517","Evocrp4_1":"1.873329902","Evocrp4_2":"1.811224986","Evocrp4_3":"2.100620975","Evocrp4_4":"1.687056592","Evocrp4_5":"1.853860253","Evocrp4_6":"1.683952867","Evocrp5_1":"2.637372139","Evocrp5_2":"2.453493525","Evocrp5_3":"2.233588135","Evocrp5_4":"2.375600779","Evocrp5_5":"2.439875412","Evocrp5_6":"2.516546065"},{"Metabolite":"Phenylalanine","WT_1":"0.407826029","WT_2":"0.496322994","WT_3":"0.625638283","WT_4":"0.562497396","WT_5":"0.340150371","WT_6":"0.347085312","Crp_1":"0.662585798","Crp_2":"0.598568766","Crp_3":"0.587966631","Crp_4":"0.671315831","Crp_5":"0.77629815","Crp_6":"0.654645683","Evocrp1_1":"0.629096881","Evocrp1_2":"0.648638269","Evocrp1_3":"0.636624277","Evocrp1_4":"0.632923363","Evocrp1_5":"0.577442762","Evocrp1_6":"0.622536149","Evocrp2_1":"0.710605573","Evocrp2_2":"0.754014961","Evocrp2_3":"0.502735658","Evocrp2_4":"0.496409289","Evocrp2_5":"0.758676633","Evocrp2_6":"0.553653034","Evocrp3_1":"0.507553866","Evocrp3_2":"0.548962563","Evocrp3_3":"0.553733228","Evocrp3_4":"0.547537792","Evocrp3_5":"0.605756254","Evocrp3_6":"0.562540748","Evocrp4_1":"0.627502701","Evocrp4_2":"0.595112582","Evocrp4_3":"0.810960149","Evocrp4_4":"0.671849658","Evocrp4_5":"0.582498143","Evocrp4_6":"0.658484995","Evocrp5_1":"0.799471115","Evocrp5_2":"0.965866904","Evocrp5_3":"0.780808764","Evocrp5_4":"0.799652258","Evocrp5_5":"0.922302662","Evocrp5_6":"0.958830638"},{"Metabolite":"Isoleucine","WT_1":"0.306458323","WT_2":"0.383794776","WT_3":"0.278182991","WT_4":"0.431539332","WT_5":"0.310786559","WT_6":"0.325690628","Crp_1":"0.361572835","Crp_2":"0.311966841","Crp_3":"0.382283423","Crp_4":"0.341883675","Crp_5":"0.409302167","Crp_6":"0.428951142","Evocrp1_1":"0.37344487","Evocrp1_2":"0.561136072","Evocrp1_3":"0.367442156","Evocrp1_4":"0.363839748","Evocrp1_5":"0.533441475","Evocrp1_6":"0.508335721","Evocrp2_1":"0.435014011","Evocrp2_2":"0.533652464","Evocrp2_3":"0.422385495","Evocrp2_4":"0.439828763","Evocrp2_5":"0.351171292","Evocrp2_6":"0.476747566","Evocrp3_1":"0.353770694","Evocrp3_2":"0.404078303","Evocrp3_3":"0.446512109","Evocrp3_4":"0.388654832","Evocrp3_5":"0.440833839","Evocrp3_6":"0.449780109","Evocrp4_1":"0.346076662","Evocrp4_2":"0.366296835","Evocrp4_3":"0.335972701","Evocrp4_4":"0.428482479","Evocrp4_5":"0.369768867","Evocrp4_6":"0.441310561","Evocrp5_1":"0.229461852","Evocrp5_2":"0.24372788","Evocrp5_3":"0.35398728","Evocrp5_4":"0.319172544","Evocrp5_5":"0.278991006","Evocrp5_6":"0.430232031"},{"Metabolite":"Methionine","WT_1":"0.634267572","WT_2":"0.837133702","WT_3":"0.990772047","WT_4":"1.386227819","WT_5":"0.863318528","WT_6":"0.909002342","Crp_1":"1.015537167","Crp_2":"0.974046501","Crp_3":"0.806381228","Crp_4":"0.637872467","Crp_5":"0.731999802","Crp_6":"1.093534835","Evocrp1_1":"1.079854896","Evocrp1_2":"1.333098753","Evocrp1_3":"1.031427133","Evocrp1_4":"1.016344972","Evocrp1_5":"1.025454042","Evocrp1_6":"1.188978356","Evocrp2_1":"1.417857502","Evocrp2_2":"1.446725052","Evocrp2_3":"0.987637611","Evocrp2_4":"0.963480657","Evocrp2_5":"1.474614082","Evocrp2_6":"1.100752244","Evocrp3_1":"0.93809627","Evocrp3_2":"1.040002511","Evocrp3_3":"1.074892659","Evocrp3_4":"1.042880619","Evocrp3_5":"1.095908192","Evocrp3_6":"1.051017693","Evocrp4_1":"1.683295006","Evocrp4_2":"1.687767182","Evocrp4_3":"2.055192907","Evocrp4_4":"1.728129883","Evocrp4_5":"1.649412971","Evocrp4_6":"1.710141892","Evocrp5_1":"2.46621218","Evocrp5_2":"2.412090307","Evocrp5_3":"1.933426574","Evocrp5_4":"2.492206703","Evocrp5_5":"2.688068745","Evocrp5_6":"2.513947859"},{"Metabolite":"Tryptophan","WT_1":"0.444134954","WT_2":"0.543101257","WT_3":"0.526005761","WT_4":"0.664933136","WT_5":"0.432482634","WT_6":"0.440435932","Crp_1":"0.620552169","Crp_2":"0.541125917","Crp_3":"0.58963203","Crp_4":"0.463603017","Crp_5":"0.416323916","Crp_6":"0.65854435","Evocrp1_1":"0.67081988","Evocrp1_2":"0.737097048","Evocrp1_3":"0.652044649","Evocrp1_4":"0.64116513","Evocrp1_5":"0.737245059","Evocrp1_6":"0.703328577","Evocrp2_1":"0.560678591","Evocrp2_2":"0.564577636","Evocrp2_3":"0.597951881","Evocrp2_4":"0.584750101","Evocrp2_5":"0.597941686","Evocrp2_6":"0.68551502","Evocrp3_1":"0.63105617","Evocrp3_2":"0.64899846","Evocrp3_3":"0.699704574","Evocrp3_4":"0.685028176","Evocrp3_5":"0.72310094","Evocrp3_6":"0.6731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}

}