{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000446","ANALYSIS_ID":"AN000698","VERSION":"1","CREATED_ON":"August 10, 2016, 11:18 am"},

"PROJECT":{"PROJECT_TITLE":"Cloning, expression and derivatization of cytotoxic marine natural product Apratoxin","PROJECT_SUMMARY":"Apratoxin is a hybrid PKS/NRPS secondary metabolite showing potent anticancer activity by inducing G1 phase cell cycle arrest and apoptosis. There have been reported a series of natural apratoxin derivatives with defined chemical modifications in their structures that alter their biological activity. Looking for a better activity, total synthesis of apratoxin has been achieved and a series of synthetic congeners showed increased activity with subnanomolar potency. From the total synthesis point of view, the modification of the polyketide backbone presents a burden for a radical derivatization of apratoxins. We hypothesized that supply the polyketide part naturally by overexpression the corresponding genes it will facilitate the generation of apratoxin congeners by decorating the backbone with a variety of amino acids improving the antitumor activity.Threfore, the apratoxin gene cluster was recovered from a fosmid DNA library. The gene set responsible for the biosynthesis of the polyketide backbone was introduced in E. coli BAP strain and expressed at 30C for 24 hours. Two sets of control and experimental samples with culture broth pH adjusted at 8 and 12 respectively was extracted with ethyl acetate and dried.","INSTITUTE":"University of Florida","DEPARTMENT":"Medicinal Chemistry","LAST_NAME":"Luesch","FIRST_NAME":"Hendrik","ADDRESS":"Medical Sciences Building, Rm P5-26, 1600 SW Archer Rd., FL32610","EMAIL":"luesch@cop.ufl.edu","PHONE":"none"},

"STUDY":{"STUDY_TITLE":"Heterologous expression and detection of Apratoxins in E. coli","STUDY_TYPE":"Organic extraction of E coli cultures harboring apratoxin gene cluster","STUDY_SUMMARY":"The apratoxin gene cluster was recovered from fosmid DNA library. The gene set responsible for the biosynthesis of the polyketide backbone was introduced in E. coli BAP strain and expressed at 30C for 24 hours. Two sets of control and experimental samples with culture broth pH adjusted at 8 and 12 respectively was extracted with ethyl acetate and dried.","INSTITUTE":"University of Florida","DEPARTMENT":"SECIM","LAST_NAME":"Kallifidas","FIRST_NAME":"Dimitris","ADDRESS":"Medical Sciences Building, Rm P5-26, 1600 SW Archer Rd., FL32610","EMAIL":"dkallifidas@ufl.edu","PHONE":"None","NUM_GROUPS":"1","TOTAL_SUBJECTS":"12"},

"SUBJECT":{"SUBJECT_TYPE":"bacteria cells","SUBJECT_SPECIES":"Escherichia coli","TAXONOMY_ID":"562"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH8",
"Factors":{"pH":"8","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH12",
"Factors":{"pH":"12","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH8",
"Factors":{"pH":"8","treatment":"bAprat14"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH12",
"Factors":{"pH":"12","treatment":"bAprat14"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH8_2",
"Factors":{"pH":"8","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH12_2",
"Factors":{"pH":"12","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH8_2",
"Factors":{"pH":"8","treatment":"bAprat14"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH12_2",
"Factors":{"pH":"12","treatment":"bAprat14"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH8_3",
"Factors":{"pH":"8","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli_control_pH12_3",
"Factors":{"pH":"12","treatment":"control"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH8_3",
"Factors":{"pH":"8","treatment":"bAprat14"}
},
{
"Subject ID":"-",
"Sample ID":"E.coli+bAprat14_pH12_3",
"Factors":{"pH":"12","treatment":"bAprat14"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"50 ml of LB broth inoculated with the appropriate E. coli strains were extracted twice with equal volume of etheyl acetate and dried.","SAMPLE_TYPE":"Dried ethyl acetate cell extracts"},

"TREATMENT":{"TREATMENT_SUMMARY":"The set of genes responsible for the biosynthesis of the Apratoxin polyketide backbone was introduced in E. coli BAP strain and expressed at 30C for 24 hours. Two sets of control and experimental samples with culture broth pH adjusted at 8 and 12 respectively was extracted with ethyl acetate and dried.","CELL_MEDIA":"Luria Bertani (LB) broth"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"none","SAMPLEPREP_PROTOCOL_FILENAME":"Consolidated_Cellular_Metabolomics_SOP.pdf","SAMPLE_SPIKING":"Appendix A - Internal Standard Prep GLCMS.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Scientific-Dionex Ultimate 3000","COLUMN_NAME":"ACE Excel 2 C18-PFP (100 x 2.1mm, 2um)","METHODS_FILENAME":"Metabolomics_LCMSProtocol.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Metabolomics_LCMSProtocol.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"HESI"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"2,4-Dinitrophenol (herbicide)","E.coli+bAprat14_pH12":"132000.0000","E.coli_control_pH12":"634000.0000","E.coli+bAprat14_pH12_2":"120000.0000","E.coli_control_pH12_2":"662000.0000","E.coli_control_pH12_3":"672000.0000","E.coli_control_pH8":"1530000.0000","E.coli+bAprat14_pH8":"1080000.0000","E.coli_control_pH8_2":"1600000.0000","E.coli+bAprat14_pH12_3":"124000.0000","E.coli+bAprat14_pH8_2":"970000.0000","E.coli_control_pH8_3":"1620000.0000","E.coli+bAprat14_pH8_3":"1040000.0000"},{"Metabolite":"2-deoxy-D-galactose (fructose/glucose)","E.coli+bAprat14_pH12":"8340000.0000","E.coli_control_pH12":"5950000.0000","E.coli+bAprat14_pH12_2":"8650000.0000","E.coli_control_pH12_2":"6880000.0000","E.coli_control_pH12_3":"6680000.0000","E.coli_control_pH8":"33400000.0000","E.coli+bAprat14_pH8":"47400000.0000","E.coli_control_pH8_2":"33400000.0000","E.coli+bAprat14_pH12_3":"13000000.0000","E.coli+bAprat14_pH8_2":"47800000.0000","E.coli_control_pH8_3":"32700000.0000","E.coli+bAprat14_pH8_3":"45300000.0000"},{"Metabolite":"3-(2-HYDROXYPHENYL)PROPANOATE","E.coli+bAprat14_pH12":"68800000.0000","E.coli_control_pH12":"76300000.0000","E.coli+bAprat14_pH12_2":"66500000.0000","E.coli_control_pH12_2":"76300000.0000","E.coli_control_pH12_3":"75800000.0000","E.coli_control_pH8":"305000000.0000","E.coli+bAprat14_pH8":"212000000.0000","E.coli_control_pH8_2":"373000000.0000","E.coli+bAprat14_pH12_3":"65400000.0000","E.coli+bAprat14_pH8_2":"206000000.0000","E.coli_control_pH8_3":"301000000.0000","E.coli+bAprat14_pH8_3":"207000000.0000"},{"Metabolite":"3,4-Dihydroxybenzenesulfonic Acid","E.coli+bAprat14_pH12":"2650000.0000","E.coli_control_pH12":"2790000.0000","E.coli+bAprat14_pH12_2":"2650000.0000","E.coli_control_pH12_2":"2860000.0000","E.coli_control_pH12_3":"2990000.0000","E.coli_control_pH8":"25900000.0000","E.coli+bAprat14_pH8":"18200000.0000","E.coli_control_pH8_2":"26500000.0000","E.coli+bAprat14_pH12_3":"2710000.0000","E.coli+bAprat14_pH8_2":"18300000.0000","E.coli_control_pH8_3":"26200000.0000","E.coli+bAprat14_pH8_3":"17300000.0000"},{"Metabolite":"3-AMINO-5-HYDROXYBENZOIC ACID","E.coli+bAprat14_pH12":"292000.0000","E.coli_control_pH12":"501000.0000","E.coli+bAprat14_pH12_2":"321000.0000","E.coli_control_pH12_2":"504000.0000","E.coli_control_pH12_3":"519000.0000","E.coli_control_pH8":"2820000.0000","E.coli+bAprat14_pH8":"1500000.0000","E.coli_control_pH8_2":"2750000.0000","E.coli+bAprat14_pH12_3":"373000.0000","E.coli+bAprat14_pH8_2":"1430000.0000","E.coli_control_pH8_3":"2570000.0000","E.coli+bAprat14_pH8_3":"1270000.0000"},{"Metabolite":"3'-CMP_R1","E.coli+bAprat14_pH12":"20700000.0000","E.coli_control_pH12":"10400000.0000","E.coli+bAprat14_pH12_2":"20700000.0000","E.coli_control_pH12_2":"11700000.0000","E.coli_control_pH12_3":"11500000.0000","E.coli_control_pH8":"1150000.0000","E.coli+bAprat14_pH8":"3780000.0000","E.coli_control_pH8_2":"1070000.0000","E.coli+bAprat14_pH12_3":"21700000.0000","E.coli+bAprat14_pH8_2":"3830000.0000","E.coli_control_pH8_3":"1160000.0000","E.coli+bAprat14_pH8_3":"3530000.0000"},{"Metabolite":"3'-CMP_R2","E.coli+bAprat14_pH12":"17300000.0000","E.coli_control_pH12":"8930000.0000","E.coli+bAprat14_pH12_2":"17100000.0000","E.coli_control_pH12_2":"10400000.0000","E.coli_control_pH12_3":"10100000.0000","E.coli_control_pH8":"1150000.0000","E.coli+bAprat14_pH8":"3780000.0000","E.coli_control_pH8_2":"1070000.0000","E.coli+bAprat14_pH12_3":"17900000.0000","E.coli+bAprat14_pH8_2":"3830000.0000","E.coli_control_pH8_3":"1160000.0000","E.coli+bAprat14_pH8_3":"3530000.0000"},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE","E.coli+bAprat14_pH12":"35700000.0000","E.coli_control_pH12":"27200000.0000","E.coli+bAprat14_pH12_2":"35700000.0000","E.coli_control_pH12_2":"29400000.0000","E.coli_control_pH12_3":"29900000.0000","E.coli_control_pH8":"103000000.0000","E.coli+bAprat14_pH8":"131000000.0000","E.coli_control_pH8_2":"99400000.0000","E.coli+bAprat14_pH12_3":"35600000.0000","E.coli+bAprat14_pH8_2":"134000000.0000","E.coli_control_pH8_3":"103000000.0000","E.coli+bAprat14_pH8_3":"129000000.0000"},{"Metabolite":"3-Hydroxydecanoic acid","E.coli+bAprat14_pH12":"5430000.0000","E.coli_control_pH12":"13600000.0000","E.coli+bAprat14_pH12_2":"5260000.0000","E.coli_control_pH12_2":"13400000.0000","E.coli_control_pH12_3":"13600000.0000","E.coli_control_pH8":"16100000.0000","E.coli+bAprat14_pH8":"11900000.0000","E.coli_control_pH8_2":"16200000.0000","E.coli+bAprat14_pH12_3":"5320000.0000","E.coli+bAprat14_pH8_2":"10700000.0000","E.coli_control_pH8_3":"15600000.0000","E.coli+bAprat14_pH8_3":"11500000.0000"},{"Metabolite":"3-HYDROXYPHENYLACETATE","E.coli+bAprat14_pH12":"2090000.0000","E.coli_control_pH12":"3490000.0000","E.coli+bAprat14_pH12_2":"2120000.0000","E.coli_control_pH12_2":"3790000.0000","E.coli_control_pH12_3":"3870000.0000","E.coli_control_pH8":"55300000.0000","E.coli+bAprat14_pH8":"26700000.0000","E.coli_control_pH8_2":"55000000.0000","E.coli+bAprat14_pH12_3":"2120000.0000","E.coli+bAprat14_pH8_2":"26300000.0000","E.coli_control_pH8_3":"55300000.0000","E.coli+bAprat14_pH8_3":"26200000.0000"},{"Metabolite":"3-METHYL-2-OXOVALERIC ACID","E.coli+bAprat14_pH12":"52900000.0000","E.coli_control_pH12":"43000000.0000","E.coli+bAprat14_pH12_2":"54000000.0000","E.coli_control_pH12_2":"43700000.0000","E.coli_control_pH12_3":"43300000.0000","E.coli_control_pH8":"328000000.0000","E.coli+bAprat14_pH8":"379000000.0000","E.coli_control_pH8_2":"336000000.0000","E.coli+bAprat14_pH12_3":"49600000.0000","E.coli+bAprat14_pH8_2":"374000000.0000","E.coli_control_pH8_3":"330000000.0000","E.coli+bAprat14_pH8_3":"365000000.0000"},{"Metabolite":"3-tert-Butyladipic acid","E.coli+bAprat14_pH12":"725000.0000","E.coli_control_pH12":"751000.0000","E.coli+bAprat14_pH12_2":"725000.0000","E.coli_control_pH12_2":"816000.0000","E.coli_control_pH12_3":"787000.0000","E.coli_control_pH8":"3800000.0000","E.coli+bAprat14_pH8":"17800000.0000","E.coli_control_pH8_2":"3940000.0000","E.coli+bAprat14_pH12_3":"727000.0000","E.coli+bAprat14_pH8_2":"16700000.0000","E.coli_control_pH8_3":"5830000.0000","E.coli+bAprat14_pH8_3":"17000000.0000"},{"Metabolite":"4-Hydroxyphenylacetate","E.coli+bAprat14_pH12":"72700.0000","E.coli_control_pH12":"582000.0000","E.coli+bAprat14_pH12_2":"107000.0000","E.coli_control_pH12_2":"610000.0000","E.coli_control_pH12_3":"601000.0000","E.coli_control_pH8":"178000000.0000","E.coli+bAprat14_pH8":"3890000.0000","E.coli_control_pH8_2":"178000000.0000","E.coli+bAprat14_pH12_3":"54700.0000","E.coli+bAprat14_pH8_2":"4100000.0000","E.coli_control_pH8_3":"173000000.0000","E.coli+bAprat14_pH8_3":"4120000.0000"},{"Metabolite":"4-METHYL-2-OXO-PENTANOIC ACID","E.coli+bAprat14_pH12":"130000000.0000","E.coli_control_pH12":"217000000.0000","E.coli+bAprat14_pH12_2":"127000000.0000","E.coli_control_pH12_2":"224000000.0000","E.coli_control_pH12_3":"228000000.0000","E.coli_control_pH8":"587000000.0000","E.coli+bAprat14_pH8":"760000000.0000","E.coli_control_pH8_2":"596000000.0000","E.coli+bAprat14_pH12_3":"128000000.0000","E.coli+bAprat14_pH8_2":"744000000.0000","E.coli_control_pH8_3":"574000000.0000","E.coli+bAprat14_pH8_3":"719000000.0000"},{"Metabolite":"4-oxoproline","E.coli+bAprat14_pH12":"1120000000.0000","E.coli_control_pH12":"468000000.0000","E.coli+bAprat14_pH12_2":"580000000.0000","E.coli_control_pH12_2":"961000000.0000","E.coli_control_pH12_3":"957000000.0000","E.coli_control_pH8":"1600000000.0000","E.coli+bAprat14_pH8":"2180000000.0000","E.coli_control_pH8_2":"1630000000.0000","E.coli+bAprat14_pH12_3":"550000000.0000","E.coli+bAprat14_pH8_2":"2210000000.0000","E.coli_control_pH8_3":"1610000000.0000","E.coli+bAprat14_pH8_3":"2110000000.0000"},{"Metabolite":"5-HYDROXY-L-TRYPTOPHAN","E.coli+bAprat14_pH12":"17900.0000","E.coli_control_pH12":"20600.0000","E.coli+bAprat14_pH12_2":"21600.0000","E.coli_control_pH12_2":"61800.0000","E.coli_control_pH12_3":"49700.0000","E.coli_control_pH8":"3980000.0000","E.coli+bAprat14_pH8":"2250000.0000","E.coli_control_pH8_2":"4040000.0000","E.coli+bAprat14_pH12_3":"16000.0000","E.coli+bAprat14_pH8_2":"2070000.0000","E.coli_control_pH8_3":"4320000.0000","E.coli+bAprat14_pH8_3":"1960000.0000"},{"Metabolite":"6-Hydroxycaproic acid","E.coli+bAprat14_pH12":"83000000.0000","E.coli_control_pH12":"88300000.0000","E.coli+bAprat14_pH12_2":"84500000.0000","E.coli_control_pH12_2":"97900000.0000","E.coli_control_pH12_3":"95500000.0000","E.coli_control_pH8":"220000000.0000","E.coli+bAprat14_pH8":"193000000.0000","E.coli_control_pH8_2":"222000000.0000","E.coli+bAprat14_pH12_3":"85900000.0000","E.coli+bAprat14_pH8_2":"185000000.0000","E.coli_control_pH8_3":"229000000.0000","E.coli+bAprat14_pH8_3":"184000000.0000"},{"Metabolite":"ADENINE","E.coli+bAprat14_pH12":"31300000.0000","E.coli_control_pH12":"52400000.0000","E.coli+bAprat14_pH12_2":"29300000.0000","E.coli_control_pH12_2":"51300000.0000","E.coli_control_pH12_3":"54100000.0000","E.coli_control_pH8":"94700000.0000","E.coli+bAprat14_pH8":"106000000.0000","E.coli_control_pH8_2":"89200000.0000","E.coli+bAprat14_pH12_3":"30500000.0000","E.coli+bAprat14_pH8_2":"96200000.0000","E.coli_control_pH8_3":"96400000.0000","E.coli+bAprat14_pH8_3":"89000000.0000"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","E.coli+bAprat14_pH12":"6850000.0000","E.coli_control_pH12":"6090000.0000","E.coli+bAprat14_pH12_2":"6960000.0000","E.coli_control_pH12_2":"7080000.0000","E.coli_control_pH12_3":"6960000.0000","E.coli_control_pH8":"696000.0000","E.coli+bAprat14_pH8":"1380000.0000","E.coli_control_pH8_2":"669000.0000","E.coli+bAprat14_pH12_3":"7270000.0000","E.coli+bAprat14_pH8_2":"1380000.0000","E.coli_control_pH8_3":"686000.0000","E.coli+bAprat14_pH8_3":"1280000.0000"},{"Metabolite":"ALDOPENTOSE","E.coli+bAprat14_pH12":"24400000.0000","E.coli_control_pH12":"16000000.0000","E.coli+bAprat14_pH12_2":"24200000.0000","E.coli_control_pH12_2":"17000000.0000","E.coli_control_pH12_3":"17500000.0000","E.coli_control_pH8":"8540000.0000","E.coli+bAprat14_pH8":"12200000.0000","E.coli_control_pH8_2":"8910000.0000","E.coli+bAprat14_pH12_3":"24800000.0000","E.coli+bAprat14_pH8_2":"12200000.0000","E.coli_control_pH8_3":"9010000.0000","E.coli+bAprat14_pH8_3":"11900000.0000"},{"Metabolite":"ANTHRANILATE_R1","E.coli+bAprat14_pH12":"863000.0000","E.coli_control_pH12":"1890000.0000","E.coli+bAprat14_pH12_2":"819000.0000","E.coli_control_pH12_2":"2160000.0000","E.coli_control_pH12_3":"2160000.0000","E.coli_control_pH8":"19100000.0000","E.coli+bAprat14_pH8":"10700000.0000","E.coli_control_pH8_2":"19700000.0000","E.coli+bAprat14_pH12_3":"868000.0000","E.coli+bAprat14_pH8_2":"9660000.0000","E.coli_control_pH8_3":"20900000.0000","E.coli+bAprat14_pH8_3":"8860000.0000"},{"Metabolite":"ANTHRANILATE_R2","E.coli+bAprat14_pH12":"863000.0000","E.coli_control_pH12":"1890000.0000","E.coli+bAprat14_pH12_2":"819000.0000","E.coli_control_pH12_2":"2160000.0000","E.coli_control_pH12_3":"2160000.0000","E.coli_control_pH8":"13500000.0000","E.coli+bAprat14_pH8":"3810000.0000","E.coli_control_pH8_2":"13000000.0000","E.coli+bAprat14_pH12_3":"868000.0000","E.coli+bAprat14_pH8_2":"9660000.0000","E.coli_control_pH8_3":"13800000.0000","E.coli+bAprat14_pH8_3":"3730000.0000"},{"Metabolite":"Ascorbic acid","E.coli+bAprat14_pH12":"419000.0000","E.coli_control_pH12":"224000.0000","E.coli+bAprat14_pH12_2":"408000.0000","E.coli_control_pH12_2":"270000.0000","E.coli_control_pH12_3":"212000.0000","E.coli_control_pH8":"28200000.0000","E.coli+bAprat14_pH8":"6700000.0000","E.coli_control_pH8_2":"29100000.0000","E.coli+bAprat14_pH12_3":"423000.0000","E.coli+bAprat14_pH8_2":"6380000.0000","E.coli_control_pH8_3":"34700000.0000","E.coli+bAprat14_pH8_3":"6380000.0000"},{"Metabolite":"Background Ion_R1","E.coli+bAprat14_pH12":"20600000.0000","E.coli_control_pH12":"33000000.0000","E.coli+bAprat14_pH12_2":"22100000.0000","E.coli_control_pH12_2":"36200000.0000","E.coli_control_pH12_3":"35000000.0000","E.coli_control_pH8":"75500000.0000","E.coli+bAprat14_pH8":"53000000.0000","E.coli_control_pH8_2":"76500000.0000","E.coli+bAprat14_pH12_3":"22600000.0000","E.coli+bAprat14_pH8_2":"46800000.0000","E.coli_control_pH8_3":"78300000.0000","E.coli+bAprat14_pH8_3":"49500000.0000"},{"Metabolite":"Background Ion_R2","E.coli+bAprat14_pH12":"4460000.0000","E.coli_control_pH12":"13700000.0000","E.coli+bAprat14_pH12_2":"4260000.0000","E.coli_control_pH12_2":"13900000.0000","E.coli_control_pH12_3":"13600000.0000","E.coli_control_pH8":"197000000.0000","E.coli+bAprat14_pH8":"69500000.0000","E.coli_control_pH8_2":"197000000.0000","E.coli+bAprat14_pH12_3":"4150000.0000","E.coli+bAprat14_pH8_2":"67400000.0000","E.coli_control_pH8_3":"196000000.0000","E.coli+bAprat14_pH8_3":"67800000.0000"},{"Metabolite":"Background Ion_R3","E.coli+bAprat14_pH12":"7120000.0000","E.coli_control_pH12":"5070000.0000","E.coli+bAprat14_pH12_2":"6460000.0000","E.coli_control_pH12_2":"5910000.0000","E.coli_control_pH12_3":"5200000.0000","E.coli_control_pH8":"16800000.0000","E.coli+bAprat14_pH8":"24000000.0000","E.coli_control_pH8_2":"16500000.0000","E.coli+bAprat14_pH12_3":"6230000.0000","E.coli+bAprat14_pH8_2":"19200000.0000","E.coli_control_pH8_3":"16400000.0000","E.coli+bAprat14_pH8_3":"20500000.0000"},{"Metabolite":"Background Ion_R4","E.coli+bAprat14_pH12":"1390000.0000","E.coli_control_pH12":"2190000.0000","E.coli+bAprat14_pH12_2":"1290000.0000","E.coli_control_pH12_2":"2510000.0000","E.coli_control_pH12_3":"2420000.0000","E.coli_control_pH8":"24300000.0000","E.coli+bAprat14_pH8":"16300000.0000","E.coli_control_pH8_2":"24900000.0000","E.coli+bAprat14_pH12_3":"1130000.0000","E.coli+bAprat14_pH8_2":"16600000.0000","E.coli_control_pH8_3":"24200000.0000","E.coli+bAprat14_pH8_3":"16200000.0000"},{"Metabolite":"Background Ion_R5","E.coli+bAprat14_pH12":"9290000.0000","E.coli_control_pH12":"8190000.0000","E.coli+bAprat14_pH12_2":"9340000.0000","E.coli_control_pH12_2":"8900000.0000","E.coli_control_pH12_3":"8610000.0000","E.coli_control_pH8":"8510000.0000","E.coli+bAprat14_pH8":"7900000.0000","E.coli_control_pH8_2":"8700000.0000","E.coli+bAprat14_pH12_3":"9200000.0000","E.coli+bAprat14_pH8_2":"7290000.0000","E.coli_control_pH8_3":"9100000.0000","E.coli+bAprat14_pH8_3":"7240000.0000"},{"Metabolite":"Background Ion_R6","E.coli+bAprat14_pH12":"7600000.0000","E.coli_control_pH12":"7440000.0000","E.coli+bAprat14_pH12_2":"7660000.0000","E.coli_control_pH12_2":"8020000.0000","E.coli_control_pH12_3":"7520000.0000","E.coli_control_pH8":"6320000.0000","E.coli+bAprat14_pH8":"6800000.0000","E.coli_control_pH8_2":"6010000.0000","E.coli+bAprat14_pH12_3":"7820000.0000","E.coli+bAprat14_pH8_2":"5640000.0000","E.coli_control_pH8_3":"6380000.0000","E.coli+bAprat14_pH8_3":"6310000.0000"},{"Metabolite":"Background Ion_R7","E.coli+bAprat14_pH12":"5450000.0000","E.coli_control_pH12":"7760000.0000","E.coli+bAprat14_pH12_2":"5950000.0000","E.coli_control_pH12_2":"7840000.0000","E.coli_control_pH12_3":"8930000.0000","E.coli_control_pH8":"5060000.0000","E.coli+bAprat14_pH8":"6500000.0000","E.coli_control_pH8_2":"4840000.0000","E.coli+bAprat14_pH12_3":"5460000.0000","E.coli+bAprat14_pH8_2":"5610000.0000","E.coli_control_pH8_3":"5140000.0000","E.coli+bAprat14_pH8_3":"6170000.0000"},{"Metabolite":"Background Ion_R8","E.coli+bAprat14_pH12":"2480000.0000","E.coli_control_pH12":"3300000.0000","E.coli+bAprat14_pH12_2":"1880000.0000","E.coli_control_pH12_2":"3680000.0000","E.coli_control_pH12_3":"4220000.0000","E.coli_control_pH8":"4720000.0000","E.coli+bAprat14_pH8":"5000000.0000","E.coli_control_pH8_2":"4810000.0000","E.coli+bAprat14_pH12_3":"2710000.0000","E.coli+bAprat14_pH8_2":"3570000.0000","E.coli_control_pH8_3":"5020000.0000","E.coli+bAprat14_pH8_3":"4140000.0000"},{"Metabolite":"Background Ion_R9","E.coli+bAprat14_pH12":"466000.0000","E.coli_control_pH12":"763000.0000","E.coli+bAprat14_pH12_2":"473000.0000","E.coli_control_pH12_2":"822000.0000","E.coli_control_pH12_3":"839000.0000","E.coli_control_pH8":"9010000.0000","E.coli+bAprat14_pH8":"3780000.0000","E.coli_control_pH8_2":"9260000.0000","E.coli+bAprat14_pH12_3":"499000.0000","E.coli+bAprat14_pH8_2":"3400000.0000","E.coli_control_pH8_3":"9470000.0000","E.coli+bAprat14_pH8_3":"3440000.0000"},{"Metabolite":"Background Ion_R10","E.coli+bAprat14_pH12":"1750000.0000","E.coli_control_pH12":"1680000.0000","E.coli+bAprat14_pH12_2":"1730000.0000","E.coli_control_pH12_2":"1780000.0000","E.coli_control_pH12_3":"1760000.0000","E.coli_control_pH8":"1430000.0000","E.coli+bAprat14_pH8":"1520000.0000","E.coli_control_pH8_2":"1470000.0000","E.coli+bAprat14_pH12_3":"1840000.0000","E.coli+bAprat14_pH8_2":"1420000.0000","E.coli_control_pH8_3":"1460000.0000","E.coli+bAprat14_pH8_3":"1420000.0000"},{"Metabolite":"Background Ion_R11","E.coli+bAprat14_pH12":"1170000.0000","E.coli_control_pH12":"1970000.0000","E.coli+bAprat14_pH12_2":"1180000.0000","E.coli_control_pH12_2":"1550000.0000","E.coli_control_pH12_3":"1630000.0000","E.coli_control_pH8":"993000.0000","E.coli+bAprat14_pH8":"955000.0000","E.coli_control_pH8_2":"972000.0000","E.coli+bAprat14_pH12_3":"1240000.0000","E.coli+bAprat14_pH8_2":"919000.0000","E.coli_control_pH8_3":"1060000.0000","E.coli+bAprat14_pH8_3":"884000.0000"},{"Metabolite":"Background Ion_R12","E.coli+bAprat14_pH12":"646000.0000","E.coli_control_pH12":"4660000.0000","E.coli+bAprat14_pH12_2":"705000.0000","E.coli_control_pH12_2":"4770000.0000","E.coli_control_pH12_3":"4830000.0000","E.coli_control_pH8":"205000.0000","E.coli+bAprat14_pH8":"231000.0000","E.coli_control_pH8_2":"227000.0000","E.coli+bAprat14_pH12_3":"688000.0000","E.coli+bAprat14_pH8_2":"203000.0000","E.coli_control_pH8_3":"232000.0000","E.coli+bAprat14_pH8_3":"158000.0000"},{"Metabolite":"Background Ion_R13","E.coli+bAprat14_pH12":"638000.0000","E.coli_control_pH12":"4510000.0000","E.coli+bAprat14_pH12_2":"687000.0000","E.coli_control_pH12_2":"4820000.0000","E.coli_control_pH12_3":"4590000.0000","E.coli_control_pH8":"204000.0000","E.coli+bAprat14_pH8":"227000.0000","E.coli_control_pH8_2":"194000.0000","E.coli+bAprat14_pH12_3":"699000.0000","E.coli+bAprat14_pH8_2":"168000.0000","E.coli_control_pH8_3":"238000.0000","E.coli+bAprat14_pH8_3":"163000.0000"},{"Metabolite":"C6H12O6-HEXOSE/KETOSE/INOSITOL","E.coli+bAprat14_pH12":"51900000.0000","E.coli_control_pH12":"42400000.0000","E.coli+bAprat14_pH12_2":"53600000.0000","E.coli_control_pH12_2":"44600000.0000","E.coli_control_pH12_3":"44700000.0000","E.coli_control_pH8":"32200000.0000","E.coli+bAprat14_pH8":"63900000.0000","E.coli_control_pH8_2":"32500000.0000","E.coli+bAprat14_pH12_3":"54700000.0000","E.coli+bAprat14_pH8_2":"52400000.0000","E.coli_control_pH8_3":"32100000.0000","E.coli+bAprat14_pH8_3":"62100000.0000"},{"Metabolite":"DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose","E.coli+bAprat14_pH12":"1140000.0000","E.coli_control_pH12":"794000.0000","E.coli+bAprat14_pH12_2":"1260000.0000","E.coli_control_pH12_2":"916000.0000","E.coli_control_pH12_3":"851000.0000","E.coli_control_pH8":"268000.0000","E.coli+bAprat14_pH8":"5410000.0000","E.coli_control_pH8_2":"612000.0000","E.coli+bAprat14_pH12_3":"1230000.0000","E.coli+bAprat14_pH8_2":"5500000.0000","E.coli_control_pH8_3":"583000.0000","E.coli+bAprat14_pH8_3":"5160000.0000"},{"Metabolite":"Erythrose 4-Phosphate","E.coli+bAprat14_pH12":"9550000.0000","E.coli_control_pH12":"6520000.0000","E.coli+bAprat14_pH12_2":"9820000.0000","E.coli_control_pH12_2":"6740000.0000","E.coli_control_pH12_3":"6680000.0000","E.coli_control_pH8":"11800000.0000","E.coli+bAprat14_pH8":"20400000.0000","E.coli_control_pH8_2":"12300000.0000","E.coli+bAprat14_pH12_3":"9690000.0000","E.coli+bAprat14_pH8_2":"20300000.0000","E.coli_control_pH8_3":"12400000.0000","E.coli+bAprat14_pH8_3":"19600000.0000"},{"Metabolite":"GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE","E.coli+bAprat14_pH12":"2750000.0000","E.coli_control_pH12":"1780000.0000","E.coli+bAprat14_pH12_2":"2880000.0000","E.coli_control_pH12_2":"1850000.0000","E.coli_control_pH12_3":"1850000.0000","E.coli_control_pH8":"3990000.0000","E.coli+bAprat14_pH8":"7060000.0000","E.coli_control_pH8_2":"3240000.0000","E.coli+bAprat14_pH12_3":"2930000.0000","E.coli+bAprat14_pH8_2":"7900000.0000","E.coli_control_pH8_3":"3970000.0000","E.coli+bAprat14_pH8_3":"6920000.0000"},{"Metabolite":"GLUTATHIONE","E.coli+bAprat14_pH12":"391000.0000","E.coli_control_pH12":"257000.0000","E.coli+bAprat14_pH12_2":"240000.0000","E.coli_control_pH12_2":"303000.0000","E.coli_control_pH12_3":"279000.0000","E.coli_control_pH8":"1960000.0000","E.coli+bAprat14_pH8":"1420000.0000","E.coli_control_pH8_2":"2750000.0000","E.coli+bAprat14_pH12_3":"407000.0000","E.coli+bAprat14_pH8_2":"1380000.0000","E.coli_control_pH8_3":"2820000.0000","E.coli+bAprat14_pH8_3":"1230000.0000"},{"Metabolite":"GLYCERIC ACID","E.coli+bAprat14_pH12":"19200000.0000","E.coli_control_pH12":"14600000.0000","E.coli+bAprat14_pH12_2":"19900000.0000","E.coli_control_pH12_2":"17700000.0000","E.coli_control_pH12_3":"17500000.0000","E.coli_control_pH8":"16400000.0000","E.coli+bAprat14_pH8":"3340000.0000","E.coli_control_pH8_2":"17200000.0000","E.coli+bAprat14_pH12_3":"20700000.0000","E.coli+bAprat14_pH8_2":"3290000.0000","E.coli_control_pH8_3":"18100000.0000","E.coli+bAprat14_pH8_3":"3140000.0000"},{"Metabolite":"HOMOVANILLATE","E.coli+bAprat14_pH12":"7230000.0000","E.coli_control_pH12":"7200000.0000","E.coli+bAprat14_pH12_2":"7550000.0000","E.coli_control_pH12_2":"7880000.0000","E.coli_control_pH12_3":"7800000.0000","E.coli_control_pH8":"56500000.0000","E.coli+bAprat14_pH8":"24700000.0000","E.coli_control_pH8_2":"56800000.0000","E.coli+bAprat14_pH12_3":"1310000.0000","E.coli+bAprat14_pH8_2":"24100000.0000","E.coli_control_pH8_3":"58600000.0000","E.coli+bAprat14_pH8_3":"24400000.0000"},{"Metabolite":"HYPOXANTHINE","E.coli+bAprat14_pH12":"26700000.0000","E.coli_control_pH12":"23000000.0000","E.coli+bAprat14_pH12_2":"26700000.0000","E.coli_control_pH12_2":"24900000.0000","E.coli_control_pH12_3":"24600000.0000","E.coli_control_pH8":"233000000.0000","E.coli+bAprat14_pH8":"210000000.0000","E.coli_control_pH8_2":"229000000.0000","E.coli+bAprat14_pH12_3":"27000000.0000","E.coli+bAprat14_pH8_2":"212000000.0000","E.coli_control_pH8_3":"236000000.0000","E.coli+bAprat14_pH8_3":"202000000.0000"},{"Metabolite":"INDOLE-3-ACETATE","E.coli+bAprat14_pH12":"123000000.0000","E.coli_control_pH12":"224000000.0000","E.coli+bAprat14_pH12_2":"123000000.0000","E.coli_control_pH12_2":"232000000.0000","E.coli_control_pH12_3":"232000000.0000","E.coli_control_pH8":"955000000.0000","E.coli+bAprat14_pH8":"573000000.0000","E.coli_control_pH8_2":"964000000.0000","E.coli+bAprat14_pH12_3":"122000000.0000","E.coli+bAprat14_pH8_2":"575000000.0000","E.coli_control_pH8_3":"949000000.0000","E.coli+bAprat14_pH8_3":"571000000.0000"},{"Metabolite":"L-2-PHOSPHOGLYCERIC ACID","E.coli+bAprat14_pH12":"2720000.0000","E.coli_control_pH12":"1780000.0000","E.coli+bAprat14_pH12_2":"2790000.0000","E.coli_control_pH12_2":"2060000.0000","E.coli_control_pH12_3":"1910000.0000","E.coli_control_pH8":"7360000.0000","E.coli+bAprat14_pH8":"11200000.0000","E.coli_control_pH8_2":"6810000.0000","E.coli+bAprat14_pH12_3":"2680000.0000","E.coli+bAprat14_pH8_2":"11200000.0000","E.coli_control_pH8_3":"6950000.0000","E.coli+bAprat14_pH8_3":"11100000.0000"},{"Metabolite":"L-METHIONINE","E.coli+bAprat14_pH12":"24500000.0000","E.coli_control_pH12":"15600000.0000","E.coli+bAprat14_pH12_2":"24500000.0000","E.coli_control_pH12_2":"17100000.0000","E.coli_control_pH12_3":"16700000.0000","E.coli_control_pH8":"36000000.0000","E.coli+bAprat14_pH8":"53700000.0000","E.coli_control_pH8_2":"35500000.0000","E.coli+bAprat14_pH12_3":"25000000.0000","E.coli+bAprat14_pH8_2":"52700000.0000","E.coli_control_pH8_3":"36100000.0000","E.coli+bAprat14_pH8_3":"49200000.0000"},{"Metabolite":"L-TYROSINE","E.coli+bAprat14_pH12":"13100000.0000","E.coli_control_pH12":"9510000.0000","E.coli+bAprat14_pH12_2":"13300000.0000","E.coli_control_pH12_2":"11100000.0000","E.coli_control_pH12_3":"10700000.0000","E.coli_control_pH8":"30600000.0000","E.coli+bAprat14_pH8":"36300000.0000","E.coli_control_pH8_2":"31100000.0000","E.coli+bAprat14_pH12_3":"13900000.0000","E.coli+bAprat14_pH8_2":"36300000.0000","E.coli_control_pH8_3":"31800000.0000","E.coli+bAprat14_pH8_3":"35200000.0000"},{"Metabolite":"LysoPI (23:0)","E.coli+bAprat14_pH12":"5140000.0000","E.coli_control_pH12":"17700000.0000","E.coli+bAprat14_pH12_2":"5830000.0000","E.coli_control_pH12_2":"20600000.0000","E.coli_control_pH12_3":"16800000.0000","E.coli_control_pH8":"3200000.0000","E.coli+bAprat14_pH8":"5850000.0000","E.coli_control_pH8_2":"3330000.0000","E.coli+bAprat14_pH12_3":"5930000.0000","E.coli+bAprat14_pH8_2":"5650000.0000","E.coli_control_pH8_3":"3590000.0000","E.coli+bAprat14_pH8_3":"5430000.0000"},{"Metabolite":"MALATE","E.coli+bAprat14_pH12":"9350000.0000","E.coli_control_pH12":"9470000.0000","E.coli+bAprat14_pH12_2":"9580000.0000","E.coli_control_pH12_2":"9030000.0000","E.coli_control_pH12_3":"9310000.0000","E.coli_control_pH8":"55300000.0000","E.coli+bAprat14_pH8":"119000000.0000","E.coli_control_pH8_2":"34100000.0000","E.coli+bAprat14_pH12_3":"9340000.0000","E.coli+bAprat14_pH8_2":"120000000.0000","E.coli_control_pH8_3":"53100000.0000","E.coli+bAprat14_pH8_3":"111000000.0000"},{"Metabolite":"Monobutyl phthalate","E.coli+bAprat14_pH12":"154000.0000","E.coli_control_pH12":"239000.0000","E.coli+bAprat14_pH12_2":"172000.0000","E.coli_control_pH12_2":"278000.0000","E.coli_control_pH12_3":"261000.0000","E.coli_control_pH8":"4210000.0000","E.coli+bAprat14_pH8":"4580000.0000","E.coli_control_pH8_2":"4260000.0000","E.coli+bAprat14_pH12_3":"172000.0000","E.coli+bAprat14_pH8_2":"4320000.0000","E.coli_control_pH8_3":"3830000.0000","E.coli+bAprat14_pH8_3":"3930000.0000"},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID","E.coli+bAprat14_pH12":"5630000.0000","E.coli_control_pH12":"3780000.0000","E.coli+bAprat14_pH12_2":"5580000.0000","E.coli_control_pH12_2":"5260000.0000","E.coli_control_pH12_3":"4430000.0000","E.coli_control_pH8":"20700000.0000","E.coli+bAprat14_pH8":"65900000.0000","E.coli_control_pH8_2":"20700000.0000","E.coli+bAprat14_pH12_3":"6810000.0000","E.coli+bAprat14_pH8_2":"66600000.0000","E.coli_control_pH8_3":"21000000.0000","E.coli+bAprat14_pH8_3":"65700000.0000"},{"Metabolite":"N-ACETYL-DL-SERINE","E.coli+bAprat14_pH12":"10500000.0000","E.coli_control_pH12":"8160000.0000","E.coli+bAprat14_pH12_2":"11800000.0000","E.coli_control_pH12_2":"9590000.0000","E.coli_control_pH12_3":"9220000.0000","E.coli_control_pH8":"49600000.0000","E.coli+bAprat14_pH8":"63600000.0000","E.coli_control_pH8_2":"52000000.0000","E.coli+bAprat14_pH12_3":"11800000.0000","E.coli+bAprat14_pH8_2":"63100000.0000","E.coli_control_pH8_3":"51400000.0000","E.coli+bAprat14_pH8_3":"59800000.0000"},{"Metabolite":"N-ACETYL-D-MANNOSAMINE","E.coli+bAprat14_pH12":"7100000.0000","E.coli_control_pH12":"5570000.0000","E.coli+bAprat14_pH12_2":"7620000.0000","E.coli_control_pH12_2":"6160000.0000","E.coli_control_pH12_3":"6210000.0000","E.coli_control_pH8":"135000.0000","E.coli+bAprat14_pH8":"87900.0000","E.coli_control_pH8_2":"33900.0000","E.coli+bAprat14_pH12_3":"7700000.0000","E.coli+bAprat14_pH8_2":"120000.0000","E.coli_control_pH8_3":"124000.0000","E.coli+bAprat14_pH8_3":"70000.0000"},{"Metabolite":"N-ACETYL-L-ALANINE","E.coli+bAprat14_pH12":"12000000.0000","E.coli_control_pH12":"9720000.0000","E.coli+bAprat14_pH12_2":"11900000.0000","E.coli_control_pH12_2":"10600000.0000","E.coli_control_pH12_3":"9250000.0000","E.coli_control_pH8":"26500000.0000","E.coli+bAprat14_pH8":"39000000.0000","E.coli_control_pH8_2":"26400000.0000","E.coli+bAprat14_pH12_3":"13000000.0000","E.coli+bAprat14_pH8_2":"39400000.0000","E.coli_control_pH8_3":"28200000.0000","E.coli+bAprat14_pH8_3":"37500000.0000"},{"Metabolite":"N-ACETYLNEURAMINATE","E.coli+bAprat14_pH12":"5160000.0000","E.coli_control_pH12":"3470000.0000","E.coli+bAprat14_pH12_2":"5820000.0000","E.coli_control_pH12_2":"3710000.0000","E.coli_control_pH12_3":"3710000.0000","E.coli_control_pH8":"6380000.0000","E.coli+bAprat14_pH8":"11400000.0000","E.coli_control_pH8_2":"6280000.0000","E.coli+bAprat14_pH12_3":"5830000.0000","E.coli+bAprat14_pH8_2":"11200000.0000","E.coli_control_pH8_3":"6400000.0000","E.coli+bAprat14_pH8_3":"10900000.0000"},{"Metabolite":"NALPHA-ACETYL-L-LYSINE","E.coli+bAprat14_pH12":"3140000.0000","E.coli_control_pH12":"2670000.0000","E.coli+bAprat14_pH12_2":"3130000.0000","E.coli_control_pH12_2":"3070000.0000","E.coli_control_pH12_3":"3030000.0000","E.coli_control_pH8":"2490000.0000","E.coli+bAprat14_pH8":"3320000.0000","E.coli_control_pH8_2":"2530000.0000","E.coli+bAprat14_pH12_3":"3140000.0000","E.coli+bAprat14_pH8_2":"3250000.0000","E.coli_control_pH8_3":"2550000.0000","E.coli+bAprat14_pH8_3":"3060000.0000"},{"Metabolite":"N-METHYL-L-GLUTAMATE","E.coli+bAprat14_pH12":"27000000.0000","E.coli_control_pH12":"20200000.0000","E.coli+bAprat14_pH12_2":"27200000.0000","E.coli_control_pH12_2":"21300000.0000","E.coli_control_pH12_3":"21100000.0000","E.coli_control_pH8":"22300000.0000","E.coli+bAprat14_pH8":"31400000.0000","E.coli_control_pH8_2":"22700000.0000","E.coli+bAprat14_pH12_3":"28100000.0000","E.coli+bAprat14_pH8_2":"32600000.0000","E.coli_control_pH8_3":"23300000.0000","E.coli+bAprat14_pH8_3":"30500000.0000"},{"Metabolite":"P-Cresol Sulfate","E.coli+bAprat14_pH12":"52600000.0000","E.coli_control_pH12":"72200000.0000","E.coli+bAprat14_pH12_2":"52600000.0000","E.coli_control_pH12_2":"71300000.0000","E.coli_control_pH12_3":"98400000.0000","E.coli_control_pH8":"122000000.0000","E.coli+bAprat14_pH8":"80300000.0000","E.coli_control_pH8_2":"122000000.0000","E.coli+bAprat14_pH12_3":"52500000.0000","E.coli+bAprat14_pH8_2":"81600000.0000","E.coli_control_pH8_3":"123000000.0000","E.coli+bAprat14_pH8_3":"78800000.0000"},{"Metabolite":"PHOSPHOCHOLINE","E.coli+bAprat14_pH12":"493000.0000","E.coli_control_pH12":"129000.0000","E.coli+bAprat14_pH12_2":"504000.0000","E.coli_control_pH12_2":"412000.0000","E.coli_control_pH12_3":"431000.0000","E.coli_control_pH8":"1350000.0000","E.coli+bAprat14_pH8":"2860000.0000","E.coli_control_pH8_2":"6280000.0000","E.coli+bAprat14_pH12_3":"531000.0000","E.coli+bAprat14_pH8_2":"2110000.0000","E.coli_control_pH8_3":"6490000.0000","E.coli+bAprat14_pH8_3":"1890000.0000"},{"Metabolite":"SUCCINATE","E.coli+bAprat14_pH12":"38900000.0000","E.coli_control_pH12":"26500000.0000","E.coli+bAprat14_pH12_2":"38600000.0000","E.coli_control_pH12_2":"27600000.0000","E.coli_control_pH12_3":"27900000.0000","E.coli_control_pH8":"25100000.0000","E.coli+bAprat14_pH8":"95400000.0000","E.coli_control_pH8_2":"24900000.0000","E.coli+bAprat14_pH12_3":"38000000.0000","E.coli+bAprat14_pH8_2":"95200000.0000","E.coli_control_pH8_3":"25600000.0000","E.coli+bAprat14_pH8_3":"90000000.0000"},{"Metabolite":"TARTARIC ACID","E.coli+bAprat14_pH12":"361000.0000","E.coli_control_pH12":"363000.0000","E.coli+bAprat14_pH12_2":"388000.0000","E.coli_control_pH12_2":"109000.0000","E.coli_control_pH12_3":"132000.0000","E.coli_control_pH8":"649000.0000","E.coli+bAprat14_pH8":"2100000.0000","E.coli_control_pH8_2":"714000.0000","E.coli+bAprat14_pH12_3":"357000.0000","E.coli+bAprat14_pH8_2":"2030000.0000","E.coli_control_pH8_3":"659000.0000","E.coli+bAprat14_pH8_3":"2030000.0000"},{"Metabolite":"XANTHINE","E.coli+bAprat14_pH12":"41000000.0000","E.coli_control_pH12":"38800000.0000","E.coli+bAprat14_pH12_2":"41700000.0000","E.coli_control_pH12_2":"43300000.0000","E.coli_control_pH12_3":"43700000.0000","E.coli_control_pH8":"280000000.0000","E.coli+bAprat14_pH8":"204000000.0000","E.coli_control_pH8_2":"292000000.0000","E.coli+bAprat14_pH12_3":"42700000.0000","E.coli+bAprat14_pH8_2":"203000000.0000","E.coli_control_pH8_3":"296000000.0000","E.coli+bAprat14_pH8_3":"194000000.0000"}],

"Metabolites":[{"Metabolite":"2,4-Dinitrophenol (herbicide)","retention index":"11.02","quantified m/z":"183.0046","PubChem ID":"1493","KEGG ID":""},{"Metabolite":"2-deoxy-D-galactose (fructose/glucose)","retention index":"1.04","quantified m/z":"163.0612","PubChem ID":"","KEGG ID":""},{"Metabolite":"3-(2-HYDROXYPHENYL)PROPANOATE","retention index":"8.74","quantified m/z":"165.0560","PubChem ID":"873","KEGG ID":""},{"Metabolite":"3,4-Dihydroxybenzenesulfonic Acid","retention index":"6.60","quantified m/z":"188.9861","PubChem ID":"189003","KEGG ID":""},{"Metabolite":"3-AMINO-5-HYDROXYBENZOIC ACID","retention index":"1.93","quantified m/z":"152.0354","PubChem ID":"127115","KEGG ID":""},{"Metabolite":"3'-CMP_R1","retention index":"1.58","quantified m/z":"322.0456","PubChem ID":"6131","KEGG ID":""},{"Metabolite":"3'-CMP_R2","retention index":"1.70","quantified m/z":"322.0455","PubChem ID":"6131","KEGG ID":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE","retention index":"3.04","quantified m/z":"161.0459","PubChem ID":"1662","KEGG ID":""},{"Metabolite":"3-Hydroxydecanoic acid","retention index":"11.33","quantified m/z":"187.1343","PubChem ID":"26612","KEGG ID":""},{"Metabolite":"3-HYDROXYPHENYLACETATE","retention index":"7.46","quantified m/z":"151.0402","PubChem ID":"12122","KEGG ID":""},{"Metabolite":"3-METHYL-2-OXOVALERIC ACID","retention index":"6.72","quantified m/z":"129.0561","PubChem ID":"47","KEGG ID":""},{"Metabolite":"3-tert-Butyladipic acid","retention index":"9.88","quantified m/z":"201.1131","PubChem ID":"5192","KEGG ID":""},{"Metabolite":"4-Hydroxyphenylacetate","retention index":"8.24","quantified m/z":"151.0403","PubChem ID":"127","KEGG ID":""},{"Metabolite":"4-METHYL-2-OXO-PENTANOIC ACID","retention index":"7.32","quantified m/z":"129.0561","PubChem ID":"70","KEGG ID":""},{"Metabolite":"4-oxoproline","retention index":"1.70","quantified m/z":"128.0353","PubChem ID":"107541","KEGG ID":""},{"Metabolite":"5-HYDROXY-L-TRYPTOPHAN","retention index":"6.04","quantified m/z":"219.0780","PubChem ID":"144","KEGG ID":""},{"Metabolite":"6-Hydroxycaproic acid","retention index":"7.98","quantified m/z":"131.0714","PubChem ID":"14490","KEGG ID":""},{"Metabolite":"ADENINE","retention index":"1.43","quantified m/z":"134.0473","PubChem ID":"190","KEGG ID":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","retention index":"1.61","quantified m/z":"346.0556","PubChem ID":"6083","KEGG ID":""},{"Metabolite":"ALDOPENTOSE","retention index":"0.86","quantified m/z":"149.0459","PubChem ID":"","KEGG ID":""},{"Metabolite":"ANTHRANILATE_R1","retention index":"7.97","quantified m/z":"136.0406","PubChem ID":"227","KEGG ID":""},{"Metabolite":"ANTHRANILATE_R2","retention index":"7.85","quantified m/z":"136.0407","PubChem ID":"227","KEGG ID":""},{"Metabolite":"Ascorbic acid","retention index":"1.27","quantified m/z":"175.0237","PubChem ID":"54670067","KEGG ID":""},{"Metabolite":"Background Ion_R1","retention index":"12.13","quantified m/z":"293.1771","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R2","retention index":"9.25","quantified m/z":"187.0979","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R3","retention index":"8.76","quantified m/z":"171.0662","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R4","retention index":"8.58","quantified m/z":"173.0818","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R5","retention index":"14.00","quantified m/z":"221.1548","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R6","retention index":"13.33","quantified m/z":"194.0827","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R7","retention index":"12.78","quantified m/z":"293.1769","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R8","retention index":"12.62","quantified m/z":"239.1287","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R9","retention index":"10.58","quantified m/z":"242.1768","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R10","retention index":"10.56","quantified m/z":"181.0875","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R11","retention index":"14.20","quantified m/z":"233.1547","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R12","retention index":"14.53","quantified m/z":"286.9447","PubChem ID":"","KEGG ID":""},{"Metabolite":"Background Ion_R13","retention index":"14.53","quantified m/z":"288.9405","PubChem ID":"","KEGG ID":""},{"Metabolite":"C6H12O6-HEXOSE/KETOSE/INOSITOL","retention index":"0.81","quantified m/z":"179.0559","PubChem ID":"","KEGG ID":""},{"Metabolite":"DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose","retention index":"0.80","quantified m/z":"377.0859","PubChem ID":"","KEGG ID":""},{"Metabolite":"Erythrose 4-Phosphate","retention index":"0.82","quantified m/z":"199.0013","PubChem ID":"122357","KEGG ID":""},{"Metabolite":"GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE","retention index":"0.74","quantified m/z":"195.0508","PubChem ID":"","KEGG ID":""},{"Metabolite":"GLUTATHIONE","retention index":"1.54","quantified m/z":"306.0768","PubChem ID":"124886","KEGG ID":""},{"Metabolite":"GLYCERIC ACID","retention index":"0.82","quantified m/z":"105.0191","PubChem ID":"439194","KEGG ID":""},{"Metabolite":"HOMOVANILLATE","retention index":"7.50","quantified m/z":"181.0506","PubChem ID":"1738","KEGG ID":""},{"Metabolite":"HYPOXANTHINE","retention index":"2.02","quantified m/z":"135.0316","PubChem ID":"790","KEGG ID":""},{"Metabolite":"INDOLE-3-ACETATE","retention index":"9.16","quantified m/z":"174.0565","PubChem ID":"802","KEGG ID":""},{"Metabolite":"L-2-PHOSPHOGLYCERIC ACID","retention index":"0.77","quantified m/z":"184.9860","PubChem ID":"439278","KEGG ID":""},{"Metabolite":"L-METHIONINE","retention index":"1.34","quantified m/z":"148.0439","PubChem ID":"6137","KEGG ID":""},{"Metabolite":"L-TYROSINE","retention index":"3.24","quantified m/z":"180.0668","PubChem ID":"6057","KEGG ID":""},{"Metabolite":"LysoPI (23:0)","retention index":"9.68","quantified m/z":"669.3990","PubChem ID":"","KEGG ID":""},{"Metabolite":"MALATE","retention index":"1.00","quantified m/z":"133.0145","PubChem ID":"92824","KEGG ID":""},{"Metabolite":"Monobutyl phthalate","retention index":"11.43","quantified m/z":"221.0818","PubChem ID":"8575","KEGG ID":""},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID","retention index":"2.17","quantified m/z":"188.0568","PubChem ID":"185","KEGG ID":""},{"Metabolite":"N-ACETYL-DL-SERINE","retention index":"1.05","quantified m/z":"146.0460","PubChem ID":"352294","KEGG ID":""},{"Metabolite":"N-ACETYL-D-MANNOSAMINE","retention index":"0.99","quantified m/z":"256.0593","PubChem ID":"439281","KEGG ID":""},{"Metabolite":"N-ACETYL-L-ALANINE","retention index":"2.19","quantified m/z":"130.0511","PubChem ID":"88064","KEGG ID":""},{"Metabolite":"N-ACETYLNEURAMINATE","retention index":"0.80","quantified m/z":"308.0995","PubChem ID":"439197","KEGG ID":""},{"Metabolite":"NALPHA-ACETYL-L-LYSINE","retention index":"1.25","quantified m/z":"187.1089","PubChem ID":"92907","KEGG ID":""},{"Metabolite":"N-METHYL-L-GLUTAMATE","retention index":"0.88","quantified m/z":"160.0618","PubChem ID":"439377","KEGG ID":""},{"Metabolite":"P-Cresol Sulfate","retention index":"8.51","quantified m/z":"187.0070","PubChem ID":"4615423","KEGG ID":""},{"Metabolite":"PHOSPHOCHOLINE","retention index":"0.77","quantified m/z":"218.0346","PubChem ID":"1014","KEGG ID":""},{"Metabolite":"SUCCINATE","retention index":"2.26","quantified m/z":"117.0196","PubChem ID":"1110","KEGG ID":""},{"Metabolite":"TARTARIC ACID","retention index":"0.82","quantified m/z":"149.0090","PubChem ID":"444305","KEGG ID":""},{"Metabolite":"XANTHINE","retention index":"2.48","quantified m/z":"151.0261","PubChem ID":"1188","KEGG ID":""}]
}

}