{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001321","ANALYSIS_ID":"AN002197","VERSION":"1","CREATED_ON":"February 21, 2020, 1:41 pm"},

"PROJECT":{"PROJECT_TITLE":"Escherichia coli for succinic acid","PROJECT_SUMMARY":"Succinic acid is a high-value product with industrial applications. This compound is produced by the bacteria Escherichia coli and its production has been increased by metabolic engineering strategies. In this work, metabolomics is used to analyze the effect of blocking of two competitive pathways of succinic acid to design new metabolic engineering strategies to improve succinic acid production.","INSTITUTE":"Manchester Institute of Biotechnology, University of Manchester;University of Cadiz","DEPARTMENT":"Faculty of Science, University of Cadiz","LAST_NAME":"Valle","FIRST_NAME":"Antonio","ADDRESS":"Avda. Republica Saharaui s/n","EMAIL":"antonio.valle@uca.es","PHONE":"0034 956 012820"},

"STUDY":{"STUDY_TITLE":"Metabolomics in Escherichia coli mutant strains","STUDY_SUMMARY":"Escherichia coli mutant strains were prepared for metabolomics analysis.","INSTITUTE":"Manchester Institute of Biotechnology, University of Manchester","DEPARTMENT":"Faculty of Science, University of Cadiz","LAST_NAME":"Valle","FIRST_NAME":"Antonio","ADDRESS":"Avda. Republica Saharaui s/n","EMAIL":"antonio.valle@uca.es","PHONE":"0034 686588926"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Escherichia coli","TAXONOMY_ID":"562"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"M4/pBAD",
"Sample ID":"171212_01",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171212_02",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC01",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4",
"Sample ID":"171212_03",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4",
"Sample ID":"171212_04",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC02",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171212_05",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171212_06",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC03",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171212_07",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171212_08",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC04",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4/pBAD",
"Sample ID":"171212_09",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171212_10",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC05",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171212_11",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171212_12",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC06",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171212_13",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171212_14",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171212_15",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC07",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171212_16",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4",
"Sample ID":"171212_17",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171212_18",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC08",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4/pBAD",
"Sample ID":"171212_19",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171212_20",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171212_21",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC09",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171212_22",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171212_23",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171212_24",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC10",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171212_25",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4/pBAD",
"Sample ID":"171212_26",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171212_27",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171212_Blank01",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"171212_Blank02",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"171212_QC11",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171213_28",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171213_29",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC01",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171213_30",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171213_31",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC02",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4",
"Sample ID":"171213_32",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171213_33",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC03",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4",
"Sample ID":"171213_34",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4/pBAD",
"Sample ID":"171213_35",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC04",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4",
"Sample ID":"171213_36",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171213_37",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC05",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR/pBAD-mdh",
"Sample ID":"171213_38",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171213_39",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC06",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171213_40",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171213_41",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171213_42",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC07",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171213_43",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-iclR",
"Sample ID":"171213_44",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4/pBAD-mdh",
"Sample ID":"171213_45",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC08",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171213_46",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-gnd",
"Sample ID":"171213_47",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171213_48",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC09",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171213_49",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"M4-gnd/pBAD-mdh",
"Sample ID":"171213_50",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171213_51",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC10",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"M4/pBAD",
"Sample ID":"171213_52",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-gnd/pBAD",
"Sample ID":"171213_53",
"Factors":{"Time":"48 h"},
"Additional sample data":{"Replicate":"3"}
},
{
"Subject ID":"M4-iclR/pBAD",
"Sample ID":"171213_54",
"Factors":{"Time":"24 h"},
"Additional sample data":{"Replicate":"2"}
},
{
"Subject ID":"-",
"Sample ID":"171213_Blank01",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"171213_Blank02",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"171213_QC11",
"Factors":{"Time":"-"},
"Additional sample data":{"Replicate":"-"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Biomass samples were withdrawn for quenching with 60% methanol.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"The GC/MS data were firstly converted to mzXML format and imported into R. The data were then deconvolved by using eRah package. A total number of 612 features were detected and after removing features with over 20% RSD in the QCs."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolome were extracted from biomass snap-freezing in liquid nitrogen with 80% methanol and centrifuge at 15,000 x g -9, three times. The supernatant was dried with speed vacuum for 12 h and subsequently the samples were derivatized with methoxyamination followed by trimethylsylylation."},

"CHROMATOGRAPHY":[],

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"SYNBIOCHEM (MIB, U. of Manchester)"},

"MS":{"INSTRUMENT_NAME":"Agilent 7890A","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The mass spectrum was collected for the range of 50-550 m/z with an acquisition rate of 5 spectra/s and an acquisition time of 200 ms/spectrum"},

"MS_METABOLITE_DATA":{
"Units":"IU",

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}

}