{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003161","ANALYSIS_ID":"AN005186","VERSION":"1","CREATED_ON":"April 4, 2024, 4:17 am"},

"PROJECT":{"PROJECT_TITLE":"Diet-omics in the Study of Urban and Rural Crohn disease Evolution (SOURCE) cohort","PROJECT_SUMMARY":"Crohn disease (CD) burden has increased with globalization/urbanization, and the rapid rise is attributed to environmental changes rather than genetic drift. The Study Of Urban and Rural CD Evolution (SOURCE, n=380) has considered diet-omics domains simultaneously to detect complex interactions and identify potential beneficial and pathogenic factors linked with rural-urban transition and CD. We characterize exposures, diet, ileal transcriptomics, metabolomics, and microbiome in newly diagnosed CD patients and controls in rural and urban China and Israel. We show that time spent by rural residents in urban environments is linked with changes in gut microbial composition and metabolomics, which mirror those seen in CD. Ileal transcriptomics highlights personal metabolic and immune gene expression modules, that are directly linked to potential protective dietary exposures (coffee, manganese, vitamin D), fecal metabolites, and the microbiome. Bacteria-associated metabolites are primarily linked with host immune modules, whereas diet-linked metabolites are associated with host epithelial metabolic functions.","INSTITUTE":"Sheba hospital","LAST_NAME":"Braun","FIRST_NAME":"Tzipi","ADDRESS":"Sheba hospital, Ramat Gan, Ramat Gan, 52621, Israel","EMAIL":"zipik0@gmail.com","PHONE":"97235305000"},

"STUDY":{"STUDY_TITLE":"Diet-omics in the Study of Urban and Rural Crohn disease Evolution (SOURCE) cohort","STUDY_SUMMARY":"Crohn disease (CD) burden has increased with globalization/urbanization, and the rapid rise is attributed to environmental changes rather than genetic drift. The Study Of Urban and Rural CD Evolution (SOURCE, n=380) has considered diet-omics domains simultaneously to detect complex interactions and identify potential beneficial and pathogenic factors linked with rural-urban transition and CD. We characterize exposures, diet, ileal transcriptomics, metabolomics, and microbiome in newly diagnosed CD patients and controls in rural and urban China and Israel. We show that time spent by rural residents in urban environments is linked with changes in gut microbial composition and metabolomics, which mirror those seen in CD. Ileal transcriptomics highlights personal metabolic and immune gene expression modules, that are directly linked to potential protective dietary exposures (coffee, manganese, vitamin D), fecal metabolites, and the microbiome. Bacteria-associated metabolites are primarily linked with host immune modules, whereas diet-linked metabolites are associated with host epithelial metabolic functions.","INSTITUTE":"Sheba hospital","LAST_NAME":"Braun","FIRST_NAME":"Tzipi","ADDRESS":"Sheba hospital, Ramat Gan, Ramat Gan, 52621, Israel","EMAIL":"zipik0@gmail.com","PHONE":"97235305000"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"A002",
"Sample ID":"001_FC_S002_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"001_FC_S002_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A004",
"Sample ID":"002_FC_S004_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"002_FC_S004_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A006",
"Sample ID":"003_FC_S006_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"003_FC_S006_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A007",
"Sample ID":"004_FC_S007_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"004_FC_S007_SOURCE_Female_CD.mzML.gz"}
},
{
"Subject ID":"A011",
"Sample ID":"005_FC_S011_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"005_FC_S011_SOURCE_Female_CD.mzML.gz"}
},
{
"Subject ID":"A012",
"Sample ID":"006_FC_S012_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"006_FC_S012_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A014",
"Sample ID":"007_FC_S014_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"007_FC_S014_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A015",
"Sample ID":"008_FC_S015_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"008_FC_S015_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A016",
"Sample ID":"009_FC_S016_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"009_FC_S016_SOURCE_Female_CD.mzML.gz"}
},
{
"Subject ID":"A018",
"Sample ID":"010_FC_S018_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"010_FC_S018_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A020",
"Sample ID":"011_FC_S020_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"011_FC_S020_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A022",
"Sample ID":"012_FC_S022_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"012_FC_S022_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A024",
"Sample ID":"013_FC_S024_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"013_FC_S024_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A025",
"Sample ID":"014_FC_S025_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"014_FC_S025_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A026",
"Sample ID":"015_FC_S026_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"015_FC_S026_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A028",
"Sample ID":"016_FC_S028_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"016_FC_S028_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A030",
"Sample ID":"017_FC_S030_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"017_FC_S030_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A031",
"Sample ID":"018_FC_S031_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"018_FC_S031_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A032",
"Sample ID":"019_FC_S032_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"019_FC_S032_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A033",
"Sample ID":"020_FC_S033_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"020_FC_S033_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A035",
"Sample ID":"021_FC_S035_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"021_FC_S035_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A036",
"Sample ID":"022_FC_S036_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"022_FC_S036_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A040",
"Sample ID":"023_FC_S040_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"023_FC_S040_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A041",
"Sample ID":"024_FC_S041_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"024_FC_S041_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A042",
"Sample ID":"025_FC_S042_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"025_FC_S042_SOURCE_Female_CD.mzML.gz"}
},
{
"Subject ID":"A044",
"Sample ID":"026_FC_S044_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"026_FC_S044_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A045",
"Sample ID":"027_FC_S045_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"027_FC_S045_SOURCE_Female_CD.mzML.gz"}
},
{
"Subject ID":"A047",
"Sample ID":"028_FC_S047_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"028_FC_S047_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A050",
"Sample ID":"029_FC_S050_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"029_FC_S050_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A051",
"Sample ID":"030_FC_S051_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"030_FC_S051_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A052",
"Sample ID":"031_FC_S052_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"031_FC_S052_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A056",
"Sample ID":"032_FC_S056_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"032_FC_S056_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A057",
"Sample ID":"033_FC_S057_SOURCE_Male_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"033_FC_S057_SOURCE_Male_Control.mzML.gz"}
},
{
"Subject ID":"A060",
"Sample ID":"034_FC_S060_SOURCE_Male_CD",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"034_FC_S060_SOURCE_Male_CD.mzML.gz"}
},
{
"Subject ID":"A061",
"Sample ID":"035_FC_S061_SOURCE_Female_Control",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"035_FC_S061_SOURCE_Female_Control.mzML.gz"}
},
{
"Subject ID":"A062",
"Sample ID":"036_FC_S062_SOURCE_Control",
"Factors":{"Sample source":"Feces","Gender":"Male","Diagnosis":"Control"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"036_FC_S062_SOURCE_Control.mzML.gz"}
},
{
"Subject ID":"A063",
"Sample ID":"037_FC_S063_SOURCE_Female_CD",
"Factors":{"Sample source":"Feces","Gender":"Female","Diagnosis":"CD"},
"Additional sample data":{"Organism":"homo sapiens","RAW_FILE_NAME(Raw file name)":"037_FC_S063_SOURCE_Female_CD.mzML.gz"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Extraction solution (ES: 75% methanol and 25% water and six internal standards) was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics analysis","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"Extraction solution (ES: 75% methanol and 25% water and six internal standards) was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics analysis"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Orbitrap Q-Exactive Mass Spectrometer (Thermo Fisher Scientific) was used. The resolution was set to 35,000 at a 200 mass/charge ratio (m/z) with electrospray ionization and polarity switching mode to enable both positive and negative ions across a mass range of 67–1000 m/z. The UPLC setup consisted of ZIC-pHILIC column (SeQuant; 150 mm × 2.1 mm, 5 μm; Merck). Stool extracts were injected, and the compounds were separated with mobile phase gradient, starting at 20% aqueous (20 mM ammonium carbonate adjusted to pH 9.2 with 0.1% of 25% ammonium hydroxide) and 80% organic (acetonitrile) and terminated with 20% acetonitrile. Flow rate and column temperature were maintained at 0.2 ml/min and 45 °C, respectively, for a total run time of 27 min."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Orbitrap Q-Exactive","COLUMN_NAME":"Thermo Orbitrap Q-Exactive","SOLVENT_A":"ammonium carbonate","SOLVENT_B":"acetonitrile","FLOW_GRADIENT":"mobile phase gradient","FLOW_RATE":"0.2 ml/min","COLUMN_TEMPERATURE":"45"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"Other","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The raw data files generated by UPLC-MS/MS were processed using the MassLynx software (v4.1, Waters, Milford, MA, USA) to perform peak integration, calibration, and quantitation for each metabolite."},

"MS_METABOLITE_DATA":{
"Units":"TSS normalized values",

"Data":[{"Metabolite":"1-Aminocyclopropanecarboxylate","001_FC_S002_SOURCE_Female_Control":"0.003055112","002_FC_S004_SOURCE_Female_Control":"0.004323399","003_FC_S006_SOURCE_Male_Control":"0.008658629","004_FC_S007_SOURCE_Female_CD":"0.009868514","005_FC_S011_SOURCE_Female_CD":"0.007821688","006_FC_S012_SOURCE_Male_Control":"0.005412199","007_FC_S014_SOURCE_Female_Control":"0.004186461","008_FC_S015_SOURCE_Male_Control":"0.004482548","009_FC_S016_SOURCE_Female_CD":"0.009122409","010_FC_S018_SOURCE_Female_Control":"0.00535824","011_FC_S020_SOURCE_Male_CD":"0.006963489","012_FC_S022_SOURCE_Female_Control":"0.005914689","013_FC_S024_SOURCE_Male_CD":"0.003501411","014_FC_S025_SOURCE_Male_CD":"0.003869796","015_FC_S026_SOURCE_Male_Control":"0.00212467","016_FC_S028_SOURCE_Female_Control":"0.007180265","017_FC_S030_SOURCE_Female_Control":"0.006099897","018_FC_S031_SOURCE_Male_Control":"0.00556623","019_FC_S032_SOURCE_Female_Control":"0.006090341","020_FC_S033_SOURCE_Male_CD":"0.002715095","021_FC_S035_SOURCE_Male_CD":"0.007108524","022_FC_S036_SOURCE_Male_CD":"0.006238064","023_FC_S040_SOURCE_Male_CD":"0.010153693","024_FC_S041_SOURCE_Male_Control":"0.007197852","025_FC_S042_SOURCE_Female_CD":"0.01041556","026_FC_S044_SOURCE_Male_Control":"0.006074102","027_FC_S045_SOURCE_Female_CD":"0.00554335","028_FC_S047_SOURCE_Female_Control":"0.007721651","029_FC_S050_SOURCE_Female_Control":"0.006202849","030_FC_S051_SOURCE_Male_Control":"0.004728336","031_FC_S052_SOURCE_Male_CD":"0.004702802","032_FC_S056_SOURCE_Male_CD":"0.005004558","033_FC_S057_SOURCE_Male_Control":"0.006141002","034_FC_S060_SOURCE_Male_CD":"0.005435702","035_FC_S061_SOURCE_Female_Control":"0.005818836","036_FC_S062_SOURCE_Control":"0.003975747","037_FC_S063_SOURCE_Female_CD":"0.002834484"},{"Metabolite":"1-Methyladenosine","001_FC_S002_SOURCE_Female_Control":"0.004149717","002_FC_S004_SOURCE_Female_Control":"0.006611016","003_FC_S006_SOURCE_Male_Control":"0.010336455","004_FC_S007_SOURCE_Female_CD":"0.005876847","005_FC_S011_SOURCE_Female_CD":"0.045598014","006_FC_S012_SOURCE_Male_Control":"0.006110913","007_FC_S014_SOURCE_Female_Control":"0.008751517","008_FC_S015_SOURCE_Male_Control":"0.021475342","009_FC_S016_SOURCE_Female_CD":"0.008972751","010_FC_S018_SOURCE_Female_Control":"0.003567513","011_FC_S020_SOURCE_Male_CD":"0.010995548","012_FC_S022_SOURCE_Female_Control":"0.005501392","013_FC_S024_SOURCE_Male_CD":"0.003631423","014_FC_S025_SOURCE_Male_CD":"0.007663958","015_FC_S026_SOURCE_Male_Control":"0.004277787","016_FC_S028_SOURCE_Female_Control":"0.008056976","017_FC_S030_SOURCE_Female_Control":"0.006095618","018_FC_S031_SOURCE_Male_Control":"0.00387113","019_FC_S032_SOURCE_Female_Control":"0.005480138","020_FC_S033_SOURCE_Male_CD":"0.004767358","021_FC_S035_SOURCE_Male_CD":"0.00886806","022_FC_S036_SOURCE_Male_CD":"0.011844305","023_FC_S040_SOURCE_Male_CD":"0.009374488","024_FC_S041_SOURCE_Male_Control":"0.006444958","025_FC_S042_SOURCE_Female_CD":"0.015896656","026_FC_S044_SOURCE_Male_Control":"0.568870226","027_FC_S045_SOURCE_Female_CD":"0.008974424","028_FC_S047_SOURCE_Female_Control":"0.006796471","029_FC_S050_SOURCE_Female_Control":"0.002206451","030_FC_S051_SOURCE_Male_Control":"0.00996797","031_FC_S052_SOURCE_Male_CD":"0.005427447","032_FC_S056_SOURCE_Male_CD":"0.006400348","033_FC_S057_SOURCE_Male_Control":"0.005818619","034_FC_S060_SOURCE_Male_CD":"0.003184428","035_FC_S061_SOURCE_Female_Control":"0.003015152","036_FC_S062_SOURCE_Control":"0.014414002","037_FC_S063_SOURCE_Female_CD":"0.003475745"},{"Metabolite":"10-HAD","001_FC_S002_SOURCE_Female_Control":"0.03788566","002_FC_S004_SOURCE_Female_Control":"0.029633443","003_FC_S006_SOURCE_Male_Control":"0.02413944","004_FC_S007_SOURCE_Female_CD":"0.034155045","005_FC_S011_SOURCE_Female_CD":"0.01791022","006_FC_S012_SOURCE_Male_Control":"0.042968979","007_FC_S014_SOURCE_Female_Control":"0.025970674","008_FC_S015_SOURCE_Male_Control":"0.032681811","009_FC_S016_SOURCE_Female_CD":"0.025157135","010_FC_S018_SOURCE_Female_Control":"0.093800068","011_FC_S020_SOURCE_Male_CD":"0.017694547","012_FC_S022_SOURCE_Female_Control":"0.017887732","013_FC_S024_SOURCE_Male_CD":"0.03539177","014_FC_S025_SOURCE_Male_CD":"0.016476219","015_FC_S026_SOURCE_Male_Control":"0.020505901","016_FC_S028_SOURCE_Female_Control":"0.02412211","017_FC_S030_SOURCE_Female_Control":"0.049080771","018_FC_S031_SOURCE_Male_Control":"0.070330655","019_FC_S032_SOURCE_Female_Control":"0.039313614","020_FC_S033_SOURCE_Male_CD":"0.022486776","021_FC_S035_SOURCE_Male_CD":"0.05993535","022_FC_S036_SOURCE_Male_CD":"0.014324193","023_FC_S040_SOURCE_Male_CD":"0.012863718","024_FC_S041_SOURCE_Male_Control":"0.008189231","025_FC_S042_SOURCE_Female_CD":"0.016559791","026_FC_S044_SOURCE_Male_Control":"0.031813832","027_FC_S045_SOURCE_Female_CD":"0.008483475","028_FC_S047_SOURCE_Female_Control":"0.046161132","029_FC_S050_SOURCE_Female_Control":"0.039351307","030_FC_S051_SOURCE_Male_Control":"0.028116959","031_FC_S052_SOURCE_Male_CD":"0.01444144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ID":"HMDB0001398"},{"Metabolite":"Guanidinoacetate","quantified m/z":"118.0611","HMDB ID":"HMDB0000128"},{"Metabolite":"Guanidinosuccinic Acid","quantified m/z":"176.0666","HMDB ID":"HMDB0003157"},{"Metabolite":"Guanine","quantified m/z":"152.0567","HMDB ID":"HMDB0000132"},{"Metabolite":"Guanosine","quantified m/z":"284.099","HMDB ID":"HMDB0000133"},{"Metabolite":"Gulonolactone","quantified m/z":"177.0405","HMDB ID":"HMDB0003466"},{"Metabolite":"Heptanoic acid","quantified m/z":"129.0921","HMDB ID":"HMDB0000666"},{"Metabolite":"Hexanoic acid","quantified m/z":"115.0765","HMDB ID":"HMDB0000535"},{"Metabolite":"Hexanoyl carnitine","quantified m/z":"260.1856","HMDB ID":"HMDB0000756"},{"Metabolite":"Hippurate","quantified m/z":"178.051","HMDB ID":"HMDB0000714"},{"Metabolite":"Histamine","quantified m/z":"112.0869","HMDB ID":"HMDB0000870"},{"Metabolite":"Histidine","quantified m/z":"156.0768","HMDB ID":"HMDB0000177"},{"Metabolite":"Homocysteine","quantified m/z":"136.0427","HMDB ID":"HMDB0000742"},{"Metabolite":"Homocysteine Thiolactone","quantified m/z":"118.0321","HMDB ID":"NA"},{"Metabolite":"Homoserine","quantified m/z":"120.0655","HMDB ID":"HMDB0000719"},{"Metabolite":"Hydroquinone","quantified m/z":"109.0295","HMDB ID":"HMDB0002434"},{"Metabolite":"Hypotaurine","quantified m/z":"110.027","HMDB ID":"HMDB0000965"},{"Metabolite":"Hypoxanthine","quantified m/z":"137.0458","HMDB ID":"HMDB0000157"},{"Metabolite":"Indole-3-Acetamide","quantified m/z":"175.0866","HMDB ID":"HMDB0029739"},{"Metabolite":"Indole-3-Acetate","quantified m/z":"174.0561","HMDB ID":"HMDB0000197"},{"Metabolite":"Indole-3-Ethanol","quantified m/z":"162.0913","HMDB ID":"NA"},{"Metabolite":"Indole-3-Methyl Acetate","quantified m/z":"190.0863","HMDB ID":"HMDB0029738"},{"Metabolite":"Indole-3-Pyruvate","quantified m/z":"204.0655","HMDB ID":"HMDB0060067"},{"Metabolite":"Indoxyl Sulfate","quantified m/z":"212.0023","HMDB ID":"HMDB0000682"},{"Metabolite":"Indoxyl-Glucoside","quantified m/z":"294.0983","HMDB ID":"HMDB0061755"},{"Metabolite":"Inosine","quantified m/z":"269.0881","HMDB ID":"HMDB0000195"},{"Metabolite":"Isoleucine","quantified m/z":"132.1019","HMDB ID":"HMDB0000172"},{"Metabolite":"Itaconate","quantified m/z":"129.0193","HMDB ID":"HMDB0002092"},{"Metabolite":"Kynurenate","quantified m/z":"188.0353","HMDB ID":"HMDB0000715"},{"Metabolite":"Kynurenine","quantified m/z":"209.0921","HMDB ID":"HMDB0000684"},{"Metabolite":"L-Dopa","quantified m/z":"198.0761","HMDB ID":"HMDB0000181"},{"Metabolite":"Lactose","quantified m/z":"343.1235","HMDB ID":"HMDB0041627"},{"Metabolite":"Lauroylcarnitine","quantified m/z":"344.2795","HMDB ID":"HMDB0002250"},{"Metabolite":"Leucine","quantified m/z":"132.1019","HMDB ID":"HMDB0000687"},{"Metabolite":"Lignoceric acid","quantified m/z":"367.3582","HMDB ID":"HMDB0002003"},{"Metabolite":"Linoleic acid","quantified m/z":"279.233","HMDB ID":"HMDB0000673"},{"Metabolite":"Linolenic acid","quantified m/z":"277.2173","HMDB ID":"HMDB0001388"},{"Metabolite":"Lipoic acid","quantified m/z":"207.0519","HMDB ID":"NA"},{"Metabolite":"Lithocholate","quantified m/z":"375.2905","HMDB ID":"HMDB0000717"},{"Metabolite":"Lithocholyltaurine","quantified m/z":"482.2946","HMDB ID":"HMDB0000722"},{"Metabolite":"Lumichrome","quantified m/z":"241.0731","HMDB ID":"HMDB0254199"},{"Metabolite":"Lysine","quantified m/z":"147.1128","HMDB ID":"HMDB0000182"},{"Metabolite":"Malate","quantified m/z":"133.0143","HMDB ID":"HMDB0000156"},{"Metabolite":"Maleamate","quantified m/z":"114.0197","HMDB ID":"HMDB0254310"},{"Metabolite":"Maleate","quantified m/z":"115.0037","HMDB ID":"HMDB0000176"},{"Metabolite":"Maleimide","quantified m/z":"98.0237","HMDB ID":"HMDB0254312"},{"Metabolite":"Malonate","quantified m/z":"103.0037","HMDB ID":"HMDB0000691"},{"Metabolite":"Mandelate","quantified m/z":"151.0401","HMDB ID":"HMDB0000703"},{"Metabolite":"Mannitol","quantified m/z":"181.0718","HMDB ID":"HMDB0000765"},{"Metabolite":"Melatonin","quantified 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ID":"HMDB0001522"},{"Metabolite":"Methylmalonate","quantified m/z":"117.0193","HMDB ID":"HMDB0000202"},{"Metabolite":"Methylthioadenosine","quantified m/z":"298.0968","HMDB ID":"HMDB0001173"},{"Metabolite":"Mevalolactone","quantified m/z":"131.0703","HMDB ID":"HMDB0006024"},{"Metabolite":"Mevalonate","quantified m/z":"147.0663","HMDB ID":"HMDB0000227"},{"Metabolite":"Monoethylmalonate","quantified m/z":"131.035","HMDB ID":"HMDB0002001"},{"Metabolite":"Myo-Inositol","quantified m/z":"179.0561","HMDB ID":"HMDB0000211"},{"Metabolite":"Myristic acid","quantified m/z":"227.2017","HMDB ID":"HMDB0000806"},{"Metabolite":"Myristoleic acid","quantified m/z":"225.186","HMDB ID":"HMDB0002000"},{"Metabolite":"N-Acetyl-L-Aspartic Acid","quantified m/z":"174.0408","HMDB ID":"HMDB0000812"},{"Metabolite":"N-Acetyl-L-glutamine","quantified m/z":"189.087","HMDB ID":"HMDB0006029"},{"Metabolite":"N-Acetylalanine","quantified m/z":"130.051","HMDB ID":"HMDB0000766"},{"Metabolite":"N-Acetylasparagine","quantified m/z":"175.0713","HMDB ID":"HMDB0006028"},{"Metabolite":"N-Acetylglucosamine","quantified m/z":"222.0972","HMDB ID":"HMDB0000215"},{"Metabolite":"N-Acetylglutamate","quantified m/z":"190.071","HMDB ID":"HMDB0001138"},{"Metabolite":"N-Acetylglycine","quantified m/z":"116.0353","HMDB ID":"HMDB0000532"},{"Metabolite":"N-Acetylleucine","quantified m/z":"172.0979","HMDB ID":"HMDB0011756"},{"Metabolite":"N-Acetylmethionine","quantified m/z":"192.0689","HMDB ID":"HMDB0011745"},{"Metabolite":"N-Acetylneuraminate","quantified m/z":"310.1133","HMDB ID":"HMDB0000230"},{"Metabolite":"N-Acetylphenylalanine","quantified m/z":"206.0823","HMDB ID":"HMDB0000512"},{"Metabolite":"N-Acetylputrescine","quantified m/z":"131.1179","HMDB ID":"HMDB0002064"},{"Metabolite":"N-Acetylserine","quantified m/z":"146.0459","HMDB ID":"HMDB0002931"},{"Metabolite":"N-Acetylserotonin","quantified m/z":"219.1128","HMDB ID":"HMDB0001238"},{"Metabolite":"N-Acetyltryptophan","quantified m/z":"247.1077","HMDB ID":"HMDB0013713"},{"Metabolite":"N-Alpha-Acetyllysine","quantified m/z":"189.1234","HMDB ID":"HMDB0000446"},{"Metabolite":"N-Butylbenzenesulfonamide","quantified m/z":"212.0751","HMDB ID":"NA"},{"Metabolite":"N-Formyl-L-Methionine","quantified m/z":"176.0387","HMDB ID":"HMDB0001015"},{"Metabolite":"N-Formylglycine","quantified m/z":"102.0197","HMDB ID":"HMDB0255145"},{"Metabolite":"N-Methylaspartate","quantified m/z":"148.0604","HMDB ID":"HMDB0002393"},{"Metabolite":"N-Methylglutamate","quantified m/z":"162.0761","HMDB ID":"HMDB0062660"},{"Metabolite":"N-Methyltryptamine","quantified m/z":"175.123","HMDB ID":"HMDB0004370"},{"Metabolite":"N6-(Delta2-Isopentenyl)-Adenine","quantified m/z":"204.1244","HMDB ID":"HMDB0245646"},{"Metabolite":"NAD+","quantified m/z":"664.1164","HMDB ID":"HMDB0000902"},{"Metabolite":"NAPQI","quantified m/z":"150.055","HMDB ID":"HMDB0060946"},{"Metabolite":"Nervonic 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ID":"HMDB0255868"},{"Metabolite":"Octanoic acid","quantified m/z":"143.1078","HMDB ID":"HMDB0000482"},{"Metabolite":"Oleic acid","quantified m/z":"281.2486","HMDB ID":"HMDB0000207"},{"Metabolite":"Oleoyl-Glycerol","quantified m/z":"355.2854","HMDB ID":"HMDB0011567"},{"Metabolite":"Omega-Hydroxydodecanoate","quantified m/z":"215.1653","HMDB ID":"HMDB0002059"},{"Metabolite":"Ophthalmate","quantified m/z":"290.1347","HMDB ID":"HMDB0005765"},{"Metabolite":"Ornithine","quantified m/z":"133.0972","HMDB ID":"HMDB0000214"},{"Metabolite":"Orotate","quantified m/z":"155.0098","HMDB ID":"HMDB0000226"},{"Metabolite":"Oxalate","quantified m/z":"88.988","HMDB ID":"HMDB0002329"},{"Metabolite":"Oxoadipate","quantified m/z":"159.0299","HMDB ID":"HMDB0000225"},{"Metabolite":"Oxoglutarate","quantified m/z":"145.0143","HMDB ID":"HMDB0000208"},{"Metabolite":"Oxoproline","quantified m/z":"128.0353","HMDB ID":"HMDB0000267"},{"Metabolite":"P-Octopamine","quantified m/z":"154.0863","HMDB ID":"HMDB0004825"},{"Metabolite":"Palmitic acid","quantified m/z":"255.233","HMDB ID":"HMDB0000220"},{"Metabolite":"Palmitoleic acid","quantified m/z":"253.2173","HMDB ID":"HMDB0003229"},{"Metabolite":"Palmitoyl-carnitine","quantified m/z":"400.3421","HMDB ID":"HMDB0240783"},{"Metabolite":"Paraxanthine","quantified m/z":"181.072","HMDB ID":"HMDB0001860"},{"Metabolite":"Pentadecanoic acid","quantified m/z":"241.2173","HMDB ID":"HMDB0000826"},{"Metabolite":"Pentanoate","quantified m/z":"101.0608","HMDB ID":"HMDB0000892"},{"Metabolite":"Phenylacetaldehyde","quantified m/z":"119.0502","HMDB ID":"HMDB0006236"},{"Metabolite":"Phenylalanine","quantified m/z":"166.0863","HMDB ID":"HMDB0000159"},{"Metabolite":"Phenylethanolamine","quantified m/z":"138.0913","HMDB ID":"HMDB0001065"},{"Metabolite":"Phenylpyruvate","quantified m/z":"163.0401","HMDB ID":"HMDB0000205"},{"Metabolite":"Phylloquinone","quantified m/z":"449.3425","HMDB ID":"NA"},{"Metabolite":"Picolinate","quantified m/z":"122.0248","HMDB ID":"HMDB0002243"},{"Metabolite":"Pipecolate","quantified m/z":"130.0863","HMDB ID":"HMDB0000070"},{"Metabolite":"Pregnenolone Sulfate","quantified m/z":"395.1898","HMDB ID":"HMDB0000774"},{"Metabolite":"Proline","quantified m/z":"116.0706","HMDB ID":"HMDB0000162"},{"Metabolite":"Propionyl-carnitine","quantified m/z":"218.1387","HMDB ID":"HMDB0000824"},{"Metabolite":"Protoporphyrin","quantified m/z":"563.2653","HMDB ID":"HMDB0000241"},{"Metabolite":"Pterin","quantified m/z":"164.0567","HMDB ID":"HMDB0000802"},{"Metabolite":"Purine","quantified m/z":"121.0509","HMDB ID":"NA"},{"Metabolite":"Pyridoxal","quantified m/z":"168.0655","HMDB ID":"HMDB0001545"},{"Metabolite":"Pyridoxine","quantified m/z":"170.0812","HMDB ID":"HMDB0000239"},{"Metabolite":"Pyruvate","quantified m/z":"87.0088","HMDB ID":"HMDB0000243"},{"Metabolite":"Quinate","quantified m/z":"191.0561","HMDB ID":"HMDB0003072"},{"Metabolite":"Quinolinate","quantified m/z":"166.0146","HMDB ID":"HMDB0000232"},{"Metabolite":"Quinoline","quantified m/z":"130.0651","HMDB ID":"HMDB0033731"},{"Metabolite":"Raffinose","quantified m/z":"503.1618","HMDB ID":"HMDB0003213"},{"Metabolite":"Rhamnose","quantified m/z":"163.0612","HMDB ID":"HMDB0000849"},{"Metabolite":"Riboflavin","quantified m/z":"377.1456","HMDB ID":"HMDB0000244"},{"Metabolite":"Ribose","quantified m/z":"149.0456","HMDB ID":"HMDB0000283"},{"Metabolite":"Ribose phosphate","quantified m/z":"229.0119","HMDB ID":"HMDB0001548"},{"Metabolite":"Ricinoleic acid","quantified m/z":"297.2435","HMDB ID":"HMDB0034297"},{"Metabolite":"S-Adenosyl-L-Homocysteine","quantified m/z":"385.1289","HMDB ID":"HMDB0000939"},{"Metabolite":"S-Adenosyl-L-methionine","quantified m/z":"399.1445","HMDB ID":"HMDB0001185"},{"Metabolite":"S-Carboxymethylcysteine","quantified m/z":"180.0325","HMDB ID":"NA"},{"Metabolite":"S-Hexyl-Glutathione","quantified m/z":"392.185","HMDB ID":"NA"},{"Metabolite":"Saccharate","quantified m/z":"209.0303","HMDB ID":"HMDB0000663"},{"Metabolite":"Salicylamide","quantified m/z":"136.0404","HMDB ID":"HMDB0015687"},{"Metabolite":"Salicylate","quantified m/z":"137.0244","HMDB ID":"HMDB0000840"},{"Metabolite":"Salsolinol","quantified m/z":"180.1019","HMDB ID":"HMDB0005199"},{"Metabolite":"Sarcosine","quantified m/z":"90.055","HMDB ID":"HMDB0000271"},{"Metabolite":"Sedoheptulose-7-phosphate","quantified m/z":"289.033","HMDB ID":"HMDB0001068"},{"Metabolite":"Serine","quantified m/z":"106.0499","HMDB ID":"HMDB0000187"},{"Metabolite":"Serotonin","quantified m/z":"177.1022","HMDB ID":"HMDB0000259"},{"Metabolite":"Shikimate","quantified m/z":"173.0456","HMDB ID":"HMDB0003070"},{"Metabolite":"Sn-Glycero-3-Phosphocholine","quantified m/z":"258.1101","HMDB ID":"HMDB0000086"},{"Metabolite":"Sorbate","quantified m/z":"111.0452","HMDB ID":"HMDB0029581"},{"Metabolite":"Sphinganine","quantified m/z":"302.3054","HMDB ID":"HMDB0000269"},{"Metabolite":"Stachydrine","quantified m/z":"144.1019","HMDB ID":"HMDB0004827"},{"Metabolite":"Stachyose","quantified m/z":"665.2146","HMDB ID":"HMDB0003553"},{"Metabolite":"Stearic acid","quantified m/z":"283.2643","HMDB ID":"HMDB0000827"},{"Metabolite":"Suberate","quantified m/z":"173.0819","HMDB ID":"HMDB0000893"},{"Metabolite":"Succinic Acid","quantified m/z":"117.0193","HMDB ID":"HMDB0000254"},{"Metabolite":"Succinyl-Cysteine","quantified m/z":"238.038","HMDB ID":"NA"},{"Metabolite":"Succinyladenosine","quantified m/z":"384.115","HMDB ID":"HMDB0000912"},{"Metabolite":"Sucrose","quantified m/z":"341.1089","HMDB ID":"HMDB0000258"},{"Metabolite":"Tartrate","quantified m/z":"149.0092","HMDB ID":"HMDB0000956"},{"Metabolite":"Taurine","quantified m/z":"124.0074","HMDB ID":"HMDB0000251"},{"Metabolite":"Tetradecanoylcarnitine","quantified m/z":"372.3108","HMDB ID":"HMDB0005066"},{"Metabolite":"Tetrahydrofolate","quantified m/z":"446.1783","HMDB ID":"HMDB0001846"},{"Metabolite":"Theophylline","quantified m/z":"179.0575","HMDB ID":"HMDB0001889"},{"Metabolite":"Thiamine","quantified m/z":"266.1196","HMDB ID":"HMDB0000235"},{"Metabolite":"Thiamine Monophosphate","quantified m/z":"345.0781","HMDB ID":"HMDB0002666"},{"Metabolite":"Thiopurine S-Methylether","quantified m/z":"167.0386","HMDB ID":"HMDB0060411"},{"Metabolite":"Threonine","quantified m/z":"120.0655","HMDB ID":"HMDB0000167"},{"Metabolite":"Thymidine","quantified m/z":"241.083","HMDB ID":"HMDB0000273"},{"Metabolite":"Thymine","quantified m/z":"125.0357","HMDB ID":"HMDB0000262"},{"Metabolite":"TMP","quantified m/z":"323.0639","HMDB ID":"HMDB0001227"},{"Metabolite":"trans-3-Hexenoic acid","quantified m/z":"113.0608","HMDB ID":"HMDB0031501"},{"Metabolite":"Trans-4-Hydroxy-L-Proline","quantified m/z":"132.0655","HMDB ID":"HMDB0000725"},{"Metabolite":"trans,trans-Muconic acid","quantified m/z":"141.0193","HMDB ID":"HMDB0000393"},{"Metabolite":"Trehalose","quantified m/z":"341.1089","HMDB ID":"HMDB0000975"},{"Metabolite":"Tricosanoic acid","quantified m/z":"353.3425","HMDB ID":"HMDB0001160"},{"Metabolite":"Tridecanoic acid","quantified m/z":"213.186","HMDB ID":"HMDB0000910"},{"Metabolite":"Trigonelline","quantified m/z":"138.055","HMDB ID":"HMDB0000875"},{"Metabolite":"Trimethyllysine","quantified m/z":"189.1598","HMDB ID":"HMDB0001325"},{"Metabolite":"Tryptophan","quantified m/z":"205.0972","HMDB ID":"HMDB0000929"},{"Metabolite":"Tryptophanamide","quantified m/z":"204.1131","HMDB ID":"HMDB0013318"},{"Metabolite":"Tyramine","quantified m/z":"138.0913","HMDB ID":"HMDB0000306"},{"Metabolite":"Tyrosine","quantified m/z":"182.0812","HMDB ID":"HMDB0000158"},{"Metabolite":"UMP","quantified m/z":"323.0286","HMDB ID":"HMDB0000288"},{"Metabolite":"Undecanoic acid","quantified m/z":"185.1547","HMDB ID":"HMDB0000947"},{"Metabolite":"Uracil","quantified m/z":"111.02","HMDB ID":"HMDB0000300"},{"Metabolite":"Urate","quantified m/z":"167.0211","HMDB ID":"HMDB0000289"},{"Metabolite":"Ureidopropionate","quantified m/z":"133.0608","HMDB ID":"HMDB0000026"},{"Metabolite":"Uridine","quantified m/z":"243.0623","HMDB ID":"HMDB0000296"},{"Metabolite":"Urocanate","quantified m/z":"139.0502","HMDB ID":"HMDB0000301"},{"Metabolite":"Valine","quantified m/z":"118.0863","HMDB ID":"HMDB0000883"},{"Metabolite":"Xanthine","quantified m/z":"153.0407","HMDB ID":"HMDB0000292"},{"Metabolite":"Xanthurenate","quantified m/z":"206.0448","HMDB ID":"HMDB0000881"},{"Metabolite":"Ximeninic Acid","quantified m/z":"277.2173","HMDB ID":"HMDB0255892"},{"Metabolite":"Xylitol","quantified m/z":"151.0612","HMDB ID":"HMDB0002917"},{"Metabolite":"Xylose","quantified m/z":"149.0456","HMDB ID":"HMDB0000098"}]
}

}