{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001301","ANALYSIS_ID":"AN002166","VERSION":"1","CREATED_ON":"January 8, 2020, 11:32 am"},
"PROJECT":{"PROJECT_TITLE":"Luminal metabolome profiles of human microbiota-associated (HMA) mice treated with anti-IL-22 antibody or control antibody","PROJECT_SUMMARY":"We found that healthy (HC)-HMA mice, GF mice were colonized with gut microbiota derived from human HC, were protected from Clostridioides difficile (C. difficile) infection. However, the colonization resistance of HC-HMA mice was abolished by treatment of anti-IL-22 antibody, unlike control antibody-treated HC-HMA mice. Additionally, the gut microbial composition of anti-IL22 antibody-treated HC-HMA mice, C. difficile-susceptible mice, were differ from that of control antibody, thereby it appears that luminal metabolome is changed between 2 groups. To examine the change in the luminal metabolites, fecal samples were collected from anti-IL-22 /control -antibody treated HC-HMA mice, and metabolite profiles of them were analyzed.","INSTITUTE":"University of Michigan","DEPARTMENT":"Internal Medicine","LAST_NAME":"Kamada","FIRST_NAME":"Nobuhiko","ADDRESS":"1150 W Medical center Dr, Ann Arbor, MI 48109, USA","EMAIL":"nkamada@umich.edu","PHONE":"+1-734-763-2142"},
"STUDY":{"STUDY_TITLE":"Luminal metabolome profiles of human microbiota-associated (HMA) mice treated with anti-IL-22 antibody or control antibody","STUDY_SUMMARY":"Luminal (fecal) metabolome of anti-IL-22 antibody-treated HMA mice and control antibody-treated HMA mice were compared.","INSTITUTE":"University of Michigan","DEPARTMENT":"Internal Medicine","LAST_NAME":"Kamada","FIRST_NAME":"Nobuhiko","ADDRESS":"1150 W Medical center Dr, Ann Arbor, MI 48109, USA","EMAIL":"nkamada@umich.edu","PHONE":"+1-734-763-2142"},
"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Ab1",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab1.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ab2",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab2.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ab3",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab3.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+Ctrl Ab #6",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+Ctrl Ab #6.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+Ctrl Ab #7",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+Ctrl Ab #7.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+Ctrl Ab #8",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+Ctrl Ab #8.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+Ctrl Ab #9",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+Ctrl Ab #9.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+Ctrl Ab #10",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+Ctrl Ab #10.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+Ctrl Ab #6",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+Ctrl Ab #6.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+Ctrl Ab #7",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+Ctrl Ab #7.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+Ctrl Ab #8",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+Ctrl Ab #8.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+Ctrl Ab #9",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+Ctrl Ab #9.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+Ctrl Ab #10",
"Factors":{"Factor":"Control antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+Ctrl Ab #10.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ab4",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab4.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ab5",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab5.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ab6",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"Ab6.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+aIL-22 Ab #11",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+aIL-22 Ab #11.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+aIL-22 Ab #12",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+aIL-22 Ab #12.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+aIL-22 Ab #13",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+aIL-22 Ab #13.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+aIL-22 Ab #14",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+aIL-22 Ab #14.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-HMA-Rag1KO+aIL-22 Ab #15",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-HMA-Rag1KO+aIL-22 Ab #15.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+aIL-22l Ab #11",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+aIL-22l Ab #11.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+aIL-22l Ab #12",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+aIL-22l Ab #12.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+aIL-22l Ab #13",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+aIL-22l Ab #13.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+aIL-22l Ab #14",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+aIL-22l Ab #14.d"}
},
{
"Subject ID":"-",
"Sample ID":"HC-Rag1KO+aIL-22l Ab #15",
"Factors":{"Factor":"Anti-IL-22 antibody"},
"Additional sample data":{"RAW_FILE_NAME":"HC-Rag1KO+aIL-22l Ab #15.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Feces of anti-IL-22 antibody/control antibody-treated HC-HMA mice were harvested.","SAMPLE_TYPE":"Feces"},
"TREATMENT":{"TREATMENT_SUMMARY":"GF C57BL/6 mice were colonized with HC microbiotas for 2 weeks. After colonization of HC microbiota, the mice were treated with control or anti-IL-22 antibody twice (day -5 and day -3) before collecting fecal samples."},
"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fecal samples were lyophilized using a VD-800R lyophilizer (TAITEC) for 24 hours. Freeze-dried feces were disrupted with 3.0-mm Zirconia Beads (Biomedical Science) by vigorous shaking (1,500 rpm for 10 min) using Shake Master (Biomedical Science). Fecal metabolites were extracted using the methanol:chloroform:water extraction protocol."},
"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Other","INSTRUMENT_NAME":"Agilent 7100 CE","COLUMN_NAME":"Fused-silica, i.d. 50 µm(cation)","INTERNAL_STANDARD":"20 μM of methionine sulfone"},
"ANALYSIS":{"ANALYSIS_TYPE":"MS"},
"MS":{"INSTRUMENT_NAME":"Agilent G3250AA LC/MSD TOF system","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"In-house software (MasterHands) was used for peak area integration and annotation."},
"MS_METABOLITE_DATA":{
"Units":"nmol/g",
"Data":[{"Metabolite":"Adenine","Ab1":"6.2","Ab2":"4.2","Ab3":"6.6","HC-HMA-Rag1KO+Ctrl Ab #6":"10","HC-HMA-Rag1KO+Ctrl Ab #7":"11","HC-HMA-Rag1KO+Ctrl Ab #8":"8.8","HC-HMA-Rag1KO+Ctrl Ab #9":"8.9","HC-HMA-Rag1KO+Ctrl Ab #10":"11","HC-Rag1KO+Ctrl Ab #6":"6.7","HC-Rag1KO+Ctrl Ab #7":"9.7","HC-Rag1KO+Ctrl Ab #8":"5.6","HC-Rag1KO+Ctrl Ab #9":"5.8","HC-Rag1KO+Ctrl Ab #10":"15","Ab4":"5.3","Ab5":"10","Ab6":"6.5","HC-HMA-Rag1KO+aIL-22 Ab #11":"13","HC-HMA-Rag1KO+aIL-22 Ab #12":"6.5","HC-HMA-Rag1KO+aIL-22 Ab #13":"9.9","HC-HMA-Rag1KO+aIL-22 Ab #14":"9.2","HC-HMA-Rag1KO+aIL-22 Ab #15":"8.8","HC-Rag1KO+aIL-22l Ab #11":"4.7","HC-Rag1KO+aIL-22l Ab #12":"10","HC-Rag1KO+aIL-22l Ab #13":"9.5","HC-Rag1KO+aIL-22l Ab #14":"8.5","HC-Rag1KO+aIL-22l Ab #15":"9.7"},{"Metabolite":"Adenosine","Ab1":"17","Ab2":"11","Ab3":"15","HC-HMA-Rag1KO+Ctrl Ab #6":"26","HC-HMA-Rag1KO+Ctrl Ab #7":"18","HC-HMA-Rag1KO+Ctrl Ab #8":"22","HC-HMA-Rag1KO+Ctrl Ab #9":"16","HC-HMA-Rag1KO+Ctrl Ab #10":"14","HC-Rag1KO+Ctrl Ab #6":"9.8","HC-Rag1KO+Ctrl Ab #7":"13","HC-Rag1KO+Ctrl Ab #8":"17","HC-Rag1KO+Ctrl Ab #9":"20","HC-Rag1KO+Ctrl Ab #10":"18","Ab4":"16","Ab5":"19","Ab6":"14","HC-HMA-Rag1KO+aIL-22 Ab #11":"21","HC-HMA-Rag1KO+aIL-22 Ab #12":"21","HC-HMA-Rag1KO+aIL-22 Ab #13":"19","HC-HMA-Rag1KO+aIL-22 Ab #14":"18","HC-HMA-Rag1KO+aIL-22 Ab #15":"19","HC-Rag1KO+aIL-22l Ab #11":"19","HC-Rag1KO+aIL-22l Ab #12":"12","HC-Rag1KO+aIL-22l Ab #13":"13","HC-Rag1KO+aIL-22l Ab #14":"15","HC-Rag1KO+aIL-22l Ab #15":"18"},{"Metabolite":"ADMA","Ab1":"30","Ab2":"27","Ab3":"24","HC-HMA-Rag1KO+Ctrl Ab #6":"26","HC-HMA-Rag1KO+Ctrl Ab #7":"34","HC-HMA-Rag1KO+Ctrl Ab #8":"29","HC-HMA-Rag1KO+Ctrl Ab #9":"32","HC-HMA-Rag1KO+Ctrl Ab #10":"51","HC-Rag1KO+Ctrl Ab #6":"15","HC-Rag1KO+Ctrl Ab #7":"31","HC-Rag1KO+Ctrl Ab #8":"37","HC-Rag1KO+Ctrl Ab #9":"18","HC-Rag1KO+Ctrl Ab #10":"38","Ab4":"34","Ab5":"37","Ab6":"24","HC-HMA-Rag1KO+aIL-22 Ab #11":"36","HC-HMA-Rag1KO+aIL-22 Ab #12":"42","HC-HMA-Rag1KO+aIL-22 Ab #13":"40","HC-HMA-Rag1KO+aIL-22 Ab #14":"39","HC-HMA-Rag1KO+aIL-22 Ab #15":"19","HC-Rag1KO+aIL-22l Ab #11":"32","HC-Rag1KO+aIL-22l Ab #12":"30","HC-Rag1KO+aIL-22l Ab #13":"28","HC-Rag1KO+aIL-22l Ab #14":"35","HC-Rag1KO+aIL-22l Ab #15":"46"},{"Metabolite":"Agmatine","Ab1":"6.3","Ab2":"8.6","Ab3":"6.0","HC-HMA-Rag1KO+Ctrl Ab #6":"8.4","HC-HMA-Rag1KO+Ctrl Ab #7":"13","HC-HMA-Rag1KO+Ctrl Ab #8":"6.4","HC-HMA-Rag1KO+Ctrl Ab #9":"8.6","HC-HMA-Rag1KO+Ctrl Ab #10":"8.1","HC-Rag1KO+Ctrl Ab #6":"3.5","HC-Rag1KO+Ctrl Ab #7":"3.7","HC-Rag1KO+Ctrl Ab #8":"5.7","HC-Rag1KO+Ctrl Ab #9":"3.1","HC-Rag1KO+Ctrl Ab #10":"9.0","Ab4":"10","Ab5":"7.7","Ab6":"6.5","HC-HMA-Rag1KO+aIL-22 Ab #11":"10","HC-HMA-Rag1KO+aIL-22 Ab #12":"20","HC-HMA-Rag1KO+aIL-22 Ab #13":"11","HC-HMA-Rag1KO+aIL-22 Ab #14":"15","HC-HMA-Rag1KO+aIL-22 Ab #15":"13","HC-Rag1KO+aIL-22l Ab #11":"6.1","HC-Rag1KO+aIL-22l Ab #12":"4.5","HC-Rag1KO+aIL-22l Ab #13":"7.9","HC-Rag1KO+aIL-22l Ab #14":"5.1","HC-Rag1KO+aIL-22l Ab #15":"7.8"},{"Metabolite":"Ala","Ab1":"1945","Ab2":"1978","Ab3":"1573","HC-HMA-Rag1KO+Ctrl Ab #6":"1471","HC-HMA-Rag1KO+Ctrl Ab #7":"1617","HC-HMA-Rag1KO+Ctrl Ab #8":"1151","HC-HMA-Rag1KO+Ctrl Ab #9":"1152","HC-HMA-Rag1KO+Ctrl Ab #10":"1039","HC-Rag1KO+Ctrl Ab #6":"350","HC-Rag1KO+Ctrl Ab #7":"519","HC-Rag1KO+Ctrl Ab #8":"629","HC-Rag1KO+Ctrl Ab #9":"574","HC-Rag1KO+Ctrl Ab #10":"934","Ab4":"2571","Ab5":"2810","Ab6":"1709","HC-HMA-Rag1KO+aIL-22 Ab #11":"1532","HC-HMA-Rag1KO+aIL-22 Ab #12":"1425","HC-HMA-Rag1KO+aIL-22 Ab #13":"1098","HC-HMA-Rag1KO+aIL-22 Ab #14":"1759","HC-HMA-Rag1KO+aIL-22 Ab #15":"1530","HC-Rag1KO+aIL-22l Ab #11":"1965","HC-Rag1KO+aIL-22l Ab #12":"1433","HC-Rag1KO+aIL-22l Ab #13":"1547","HC-Rag1KO+aIL-22l Ab #14":"1457","HC-Rag1KO+aIL-22l Ab #15":"1406"},{"Metabolite":"Ala-Ala","Ab1":"284","Ab2":"297","Ab3":"237","HC-HMA-Rag1KO+Ctrl Ab #6":"329","HC-HMA-Rag1KO+Ctrl Ab #7":"423","HC-HMA-Rag1KO+Ctrl Ab #8":"279","HC-HMA-Rag1KO+Ctrl Ab #9":"222","HC-HMA-Rag1KO+Ctrl Ab #10":"196","HC-Rag1KO+Ctrl Ab #6":"96","HC-Rag1KO+Ctrl Ab #7":"108","HC-Rag1KO+Ctrl Ab #8":"128","HC-Rag1KO+Ctrl Ab #9":"104","HC-Rag1KO+Ctrl Ab #10":"233","Ab4":"384","Ab5":"431","Ab6":"259","HC-HMA-Rag1KO+aIL-22 Ab #11":"205","HC-HMA-Rag1KO+aIL-22 Ab #12":"354","HC-HMA-Rag1KO+aIL-22 Ab #13":"215","HC-HMA-Rag1KO+aIL-22 Ab #14":"361","HC-HMA-Rag1KO+aIL-22 Ab #15":"348","HC-Rag1KO+aIL-22l Ab #11":"52","HC-Rag1KO+aIL-22l Ab #12":"113","HC-Rag1KO+aIL-22l Ab #13":"207","HC-Rag1KO+aIL-22l Ab #14":"171","HC-Rag1KO+aIL-22l Ab #15":"218"},{"Metabolite":"alpha-Aminoadipate","Ab1":"38","Ab2":"30","Ab3":"26","HC-HMA-Rag1KO+Ctrl Ab #6":"35","HC-HMA-Rag1KO+Ctrl Ab #7":"37","HC-HMA-Rag1KO+Ctrl Ab #8":"26","HC-HMA-Rag1KO+Ctrl Ab #9":"28","HC-HMA-Rag1KO+Ctrl Ab #10":"26","HC-Rag1KO+Ctrl Ab #6":"15","HC-Rag1KO+Ctrl Ab #7":"25","HC-Rag1KO+Ctrl Ab #8":"16","HC-Rag1KO+Ctrl Ab #9":"27","HC-Rag1KO+Ctrl Ab #10":"21","Ab4":"43","Ab5":"42","Ab6":"27","HC-HMA-Rag1KO+aIL-22 Ab #11":"19","HC-HMA-Rag1KO+aIL-22 Ab #12":"32","HC-HMA-Rag1KO+aIL-22 Ab #13":"24","HC-HMA-Rag1KO+aIL-22 Ab #14":"32","HC-HMA-Rag1KO+aIL-22 Ab #15":"27","HC-Rag1KO+aIL-22l Ab #11":"14","HC-Rag1KO+aIL-22l Ab #12":"43","HC-Rag1KO+aIL-22l Ab #13":"33","HC-Rag1KO+aIL-22l Ab #14":"27","HC-Rag1KO+aIL-22l Ab #15":"55"},{"Metabolite":"Alpha-Methylserine","Ab1":"9.9","Ab2":"0","Ab3":"11","HC-HMA-Rag1KO+Ctrl Ab #6":"7.2","HC-HMA-Rag1KO+Ctrl Ab #7":"7.9","HC-HMA-Rag1KO+Ctrl Ab #8":"5.1","HC-HMA-Rag1KO+Ctrl Ab #9":"5.8","HC-HMA-Rag1KO+Ctrl Ab #10":"8.5","HC-Rag1KO+Ctrl Ab #6":"4.7","HC-Rag1KO+Ctrl Ab #7":"0","HC-Rag1KO+Ctrl Ab #8":"5.7","HC-Rag1KO+Ctrl Ab #9":"6.1","HC-Rag1KO+Ctrl Ab #10":"9.7","Ab4":"13","Ab5":"15","Ab6":"0","HC-HMA-Rag1KO+aIL-22 Ab #11":"7.4","HC-HMA-Rag1KO+aIL-22 Ab #12":"11","HC-HMA-Rag1KO+aIL-22 Ab #13":"8.2","HC-HMA-Rag1KO+aIL-22 Ab #14":"7.5","HC-HMA-Rag1KO+aIL-22 Ab #15":"8.1","HC-Rag1KO+aIL-22l Ab #11":"7.3","HC-Rag1KO+aIL-22l Ab #12":"0","HC-Rag1KO+aIL-22l Ab #13":"11","HC-Rag1KO+aIL-22l Ab #14":"9.8","HC-Rag1KO+aIL-22l Ab #15":"9.8"},{"Metabolite":"Arg","Ab1":"523","Ab2":"528","Ab3":"531","HC-HMA-Rag1KO+Ctrl Ab #6":"770","HC-HMA-Rag1KO+Ctrl Ab #7":"980","HC-HMA-Rag1KO+Ctrl Ab #8":"684","HC-HMA-Rag1KO+Ctrl Ab #9":"582","HC-HMA-Rag1KO+Ctrl Ab #10":"562","HC-Rag1KO+Ctrl Ab #6":"205","HC-Rag1KO+Ctrl Ab #7":"224","HC-Rag1KO+Ctrl Ab #8":"332","HC-Rag1KO+Ctrl Ab #9":"169","HC-Rag1KO+Ctrl Ab #10":"563","Ab4":"918","Ab5":"917","Ab6":"513","HC-HMA-Rag1KO+aIL-22 Ab #11":"768","HC-HMA-Rag1KO+aIL-22 Ab #12":"1191","HC-HMA-Rag1KO+aIL-22 Ab #13":"751","HC-HMA-Rag1KO+aIL-22 Ab #14":"965","HC-HMA-Rag1KO+aIL-22 Ab #15":"856","HC-Rag1KO+aIL-22l Ab #11":"408","HC-Rag1KO+aIL-22l Ab #12":"325","HC-Rag1KO+aIL-22l Ab #13":"642","HC-Rag1KO+aIL-22l Ab #14":"430","HC-Rag1KO+aIL-22l Ab #15":"493"},{"Metabolite":"Asn","Ab1":"98","Ab2":"106","Ab3":"146","HC-HMA-Rag1KO+Ctrl Ab #6":"523","HC-HMA-Rag1KO+Ctrl Ab #7":"872","HC-HMA-Rag1KO+Ctrl Ab #8":"650","HC-HMA-Rag1KO+Ctrl Ab #9":"478","HC-HMA-Rag1KO+Ctrl Ab #10":"400","HC-Rag1KO+Ctrl Ab #6":"94","HC-Rag1KO+Ctrl Ab #7":"142","HC-Rag1KO+Ctrl Ab #8":"221","HC-Rag1KO+Ctrl Ab #9":"159","HC-Rag1KO+Ctrl Ab #10":"347","Ab4":"216","Ab5":"242","Ab6":"119","HC-HMA-Rag1KO+aIL-22 Ab #11":"421","HC-HMA-Rag1KO+aIL-22 Ab #12":"830","HC-HMA-Rag1KO+aIL-22 Ab #13":"657","HC-HMA-Rag1KO+aIL-22 Ab #14":"917","HC-HMA-Rag1KO+aIL-22 Ab #15":"678","HC-Rag1KO+aIL-22l Ab #11":"154","HC-Rag1KO+aIL-22l Ab #12":"239","HC-Rag1KO+aIL-22l Ab #13":"430","HC-Rag1KO+aIL-22l Ab #14":"337","HC-Rag1KO+aIL-22l Ab #15":"427"},{"Metabolite":"Asp","Ab1":"846","Ab2":"872","Ab3":"731","HC-HMA-Rag1KO+Ctrl Ab #6":"2345","HC-HMA-Rag1KO+Ctrl Ab #7":"3268","HC-HMA-Rag1KO+Ctrl Ab #8":"2657","HC-HMA-Rag1KO+Ctrl Ab #9":"1759","HC-HMA-Rag1KO+Ctrl Ab #10":"2553","HC-Rag1KO+Ctrl Ab #6":"525","HC-Rag1KO+Ctrl Ab #7":"929","HC-Rag1KO+Ctrl Ab #8":"1280","HC-Rag1KO+Ctrl Ab #9":"749","HC-Rag1KO+Ctrl Ab #10":"1116","Ab4":"1997","Ab5":"2197","Ab6":"1078","HC-HMA-Rag1KO+aIL-22 Ab #11":"1773","HC-HMA-Rag1KO+aIL-22 Ab #12":"2075","HC-HMA-Rag1KO+aIL-22 Ab #13":"1226","HC-HMA-Rag1KO+aIL-22 Ab #14":"1817","HC-HMA-Rag1KO+aIL-22 Ab #15":"1213","HC-Rag1KO+aIL-22l Ab #11":"1976","HC-Rag1KO+aIL-22l Ab #12":"1813","HC-Rag1KO+aIL-22l Ab #13":"1884","HC-Rag1KO+aIL-22l Ab #14":"2231","HC-Rag1KO+aIL-22l Ab #15":"2361"},{"Metabolite":"beta-Ala","Ab1":"120","Ab2":"110","Ab3":"85","HC-HMA-Rag1KO+Ctrl Ab #6":"110","HC-HMA-Rag1KO+Ctrl Ab #7":"134","HC-HMA-Rag1KO+Ctrl Ab #8":"95","HC-HMA-Rag1KO+Ctrl Ab #9":"101","HC-HMA-Rag1KO+Ctrl Ab #10":"65","HC-Rag1KO+Ctrl Ab #6":"43","HC-Rag1KO+Ctrl Ab #7":"58","HC-Rag1KO+Ctrl Ab #8":"103","HC-Rag1KO+Ctrl Ab #9":"47","HC-Rag1KO+Ctrl Ab #10":"123","Ab4":"123","Ab5":"141","Ab6":"65","HC-HMA-Rag1KO+aIL-22 Ab #11":"93","HC-HMA-Rag1KO+aIL-22 Ab #12":"98","HC-HMA-Rag1KO+aIL-22 Ab #13":"93","HC-HMA-Rag1KO+aIL-22 Ab #14":"101","HC-HMA-Rag1KO+aIL-22 Ab #15":"110","HC-Rag1KO+aIL-22l Ab #11":"103","HC-Rag1KO+aIL-22l Ab #12":"79","HC-Rag1KO+aIL-22l Ab #13":"112","HC-Rag1KO+aIL-22l Ab #14":"104","HC-Rag1KO+aIL-22l Ab #15":"124"},{"Metabolite":"Betaine","Ab1":"43","Ab2":"34","Ab3":"51","HC-HMA-Rag1KO+Ctrl Ab #6":"30","HC-HMA-Rag1KO+Ctrl Ab #7":"32","HC-HMA-Rag1KO+Ctrl Ab #8":"28","HC-HMA-Rag1KO+Ctrl Ab #9":"23","HC-HMA-Rag1KO+Ctrl Ab #10":"35","HC-Rag1KO+Ctrl Ab #6":"21","HC-Rag1KO+Ctrl Ab #7":"69","HC-Rag1KO+Ctrl Ab #8":"27","HC-Rag1KO+Ctrl Ab #9":"24","HC-Rag1KO+Ctrl Ab #10":"711","Ab4":"28","Ab5":"26","Ab6":"39","HC-HMA-Rag1KO+aIL-22 Ab #11":"40","HC-HMA-Rag1KO+aIL-22 Ab #12":"20","HC-HMA-Rag1KO+aIL-22 Ab #13":"30","HC-HMA-Rag1KO+aIL-22 Ab #14":"39","HC-HMA-Rag1KO+aIL-22 Ab #15":"55","HC-Rag1KO+aIL-22l Ab #11":"126","HC-Rag1KO+aIL-22l Ab #12":"130","HC-Rag1KO+aIL-22l Ab #13":"130","HC-Rag1KO+aIL-22l Ab #14":"121","HC-Rag1KO+aIL-22l Ab #15":"106"},{"Metabolite":"Betaine aldehyde","Ab1":"0","Ab2":"0","Ab3":"0","HC-HMA-Rag1KO+Ctrl Ab 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#7":"33","HC-HMA-Rag1KO+Ctrl Ab #8":"22","HC-HMA-Rag1KO+Ctrl Ab #9":"31","HC-HMA-Rag1KO+Ctrl Ab #10":"45","HC-Rag1KO+Ctrl Ab #6":"23","HC-Rag1KO+Ctrl Ab #7":"23","HC-Rag1KO+Ctrl Ab #8":"24","HC-Rag1KO+Ctrl Ab #9":"23","HC-Rag1KO+Ctrl Ab #10":"29","Ab4":"0","Ab5":"0","Ab6":"0","HC-HMA-Rag1KO+aIL-22 Ab #11":"34","HC-HMA-Rag1KO+aIL-22 Ab #12":"32","HC-HMA-Rag1KO+aIL-22 Ab #13":"27","HC-HMA-Rag1KO+aIL-22 Ab #14":"29","HC-HMA-Rag1KO+aIL-22 Ab #15":"26","HC-Rag1KO+aIL-22l Ab #11":"0","HC-Rag1KO+aIL-22l Ab #12":"0","HC-Rag1KO+aIL-22l Ab #13":"0","HC-Rag1KO+aIL-22l Ab #14":"34","HC-Rag1KO+aIL-22l Ab #15":"0"},{"Metabolite":"5-Methylcytosine","Ab1":"0","Ab2":"0","Ab3":"0","HC-HMA-Rag1KO+Ctrl Ab #6":"0","HC-HMA-Rag1KO+Ctrl Ab #7":"0","HC-HMA-Rag1KO+Ctrl Ab #8":"0","HC-HMA-Rag1KO+Ctrl Ab #9":"1.6","HC-HMA-Rag1KO+Ctrl Ab #10":"0","HC-Rag1KO+Ctrl Ab #6":"2.6","HC-Rag1KO+Ctrl Ab #7":"3.1","HC-Rag1KO+Ctrl Ab #8":"1.9","HC-Rag1KO+Ctrl Ab #9":"0","HC-Rag1KO+Ctrl Ab #10":"3.2","Ab4":"0","Ab5":"0","Ab6":"0","HC-HMA-Rag1KO+aIL-22 Ab #11":"0","HC-HMA-Rag1KO+aIL-22 Ab #12":"2.7","HC-HMA-Rag1KO+aIL-22 Ab #13":"0","HC-HMA-Rag1KO+aIL-22 Ab #14":"2.1","HC-HMA-Rag1KO+aIL-22 Ab #15":"0","HC-Rag1KO+aIL-22l Ab #11":"0","HC-Rag1KO+aIL-22l Ab #12":"0","HC-Rag1KO+aIL-22l Ab #13":"0","HC-Rag1KO+aIL-22l Ab #14":"0","HC-Rag1KO+aIL-22l Ab #15":"0"},{"Metabolite":"5-Methylthioadenosine","Ab1":"9.4","Ab2":"10","Ab3":"9.6","HC-HMA-Rag1KO+Ctrl Ab #6":"15","HC-HMA-Rag1KO+Ctrl Ab #7":"17","HC-HMA-Rag1KO+Ctrl Ab #8":"14","HC-HMA-Rag1KO+Ctrl Ab #9":"12","HC-HMA-Rag1KO+Ctrl Ab #10":"11","HC-Rag1KO+Ctrl Ab #6":"4.3","HC-Rag1KO+Ctrl Ab #7":"5.4","HC-Rag1KO+Ctrl Ab #8":"6.3","HC-Rag1KO+Ctrl Ab #9":"4.6","HC-Rag1KO+Ctrl Ab #10":"8.4","Ab4":"10","Ab5":"12","Ab6":"8.8","HC-HMA-Rag1KO+aIL-22 Ab #11":"14","HC-HMA-Rag1KO+aIL-22 Ab #12":"11","HC-HMA-Rag1KO+aIL-22 Ab #13":"15","HC-HMA-Rag1KO+aIL-22 Ab #14":"16","HC-HMA-Rag1KO+aIL-22 Ab #15":"13","HC-Rag1KO+aIL-22l Ab #11":"5.5","HC-Rag1KO+aIL-22l Ab #12":"8.6","HC-Rag1KO+aIL-22l Ab #13":"12","HC-Rag1KO+aIL-22l Ab #14":"11","HC-Rag1KO+aIL-22l Ab #15":"8.2"},{"Metabolite":"7-Methylguanine","Ab1":"29","Ab2":"20","Ab3":"25","HC-HMA-Rag1KO+Ctrl Ab #6":"0","HC-HMA-Rag1KO+Ctrl Ab #7":"0","HC-HMA-Rag1KO+Ctrl Ab #8":"0","HC-HMA-Rag1KO+Ctrl Ab #9":"0","HC-HMA-Rag1KO+Ctrl Ab #10":"30","HC-Rag1KO+Ctrl Ab #6":"29","HC-Rag1KO+Ctrl Ab #7":"34","HC-Rag1KO+Ctrl Ab #8":"39","HC-Rag1KO+Ctrl Ab #9":"37","HC-Rag1KO+Ctrl Ab #10":"26","Ab4":"28","Ab5":"27","Ab6":"19","HC-HMA-Rag1KO+aIL-22 Ab #11":"0","HC-HMA-Rag1KO+aIL-22 Ab #12":"0","HC-HMA-Rag1KO+aIL-22 Ab #13":"0","HC-HMA-Rag1KO+aIL-22 Ab #14":"0","HC-HMA-Rag1KO+aIL-22 Ab #15":"0","HC-Rag1KO+aIL-22l Ab #11":"37","HC-Rag1KO+aIL-22l Ab #12":"24","HC-Rag1KO+aIL-22l Ab #13":"27","HC-Rag1KO+aIL-22l Ab #14":"15","HC-Rag1KO+aIL-22l Ab #15":"27"}],
"Metabolites":[{"Metabolite":"Adenine","RefMet name":"Adenine","Formula":"C5H5N5","Mass":"135.0545","REGNO":"37038","KEGG ID":"C00147","quantitated m/z":"136.0618809","retention times":"11.04677277"},{"Metabolite":"Adenosine","RefMet name":"Adenosine","Formula":"C10H13N5O4","Mass":"267.0968","REGNO":"37045","KEGG ID":"C00212","quantitated m/z":"268.1047891","retention times":"14.18001486"},{"Metabolite":"ADMA","RefMet name":"Dimethylarginine","Formula":"C8H18N4O2","Mass":"202.143","REGNO":"37857","KEGG ID":"C03626","quantitated m/z":"203.1484418","retention times":"11.13010119"},{"Metabolite":"Agmatine","RefMet name":"Agmatine","Formula":"C5H14N4","Mass":"130.1218","REGNO":"37797","KEGG ID":"C00179","quantitated m/z":"131.1288053","retention times":"7.495316013"},{"Metabolite":"Ala","RefMet name":"Alanine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37109","KEGG ID":"C00041","quantitated m/z":"90.05543917","retention times":"13.02200756"},{"Metabolite":"Ala-Ala","RefMet name":"Ala-Ala","Formula":"C6H12N2O3","Mass":"160.084793","REGNO":"78656","KEGG ID":"C00993","quantitated m/z":"161.0924335","retention times":"13.35519958"},{"Metabolite":"alpha-Aminoadipate","RefMet name":"Aminoadipic acid","Formula":"C6H11NO4","Mass":"161.0688","REGNO":"2017","KEGG ID":"C00956","quantitated m/z":"162.0766301","retention times":"15.7216347"},{"Metabolite":"Alpha-Methylserine","RefMet name":"Alpha-Methylserine","Formula":"C4H9NO3","Mass":"119.058244","REGNO":"78601","KEGG ID":"C02115","quantitated m/z":"120.0656962","retention times":"14.89363485"},{"Metabolite":"Arg","RefMet name":"Arginine","Formula":"C6H14N4O2","Mass":"174.1117","REGNO":"37289","KEGG ID":"C00062","quantitated m/z":"175.1198538","retention times":"10.33381633"},{"Metabolite":"Asn","RefMet name":"Asparagine","Formula":"C4H8N2O3","Mass":"132.0535","REGNO":"37114","KEGG ID":"C00152","quantitated m/z":"133.0608548","retention times":"15.02097735"},{"Metabolite":"Asp","RefMet name":"Aspartic acid","Formula":"C4H7NO4","Mass":"133.0375","REGNO":"37126","KEGG ID":"C00049","quantitated m/z":"134.0454397","retention times":"16.49434409"},{"Metabolite":"beta-Ala","RefMet name":"beta-Alanine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37049","KEGG ID":"C00099","quantitated m/z":"90.05515909","retention times":"10.6445255"},{"Metabolite":"Betaine","RefMet name":"Betaine","Formula":"C5H11NO2","Mass":"117.079","REGNO":"37042","KEGG ID":"C00719","quantitated m/z":"118.0867123","retention times":"16.1541235"},{"Metabolite":"Betaine aldehyde","RefMet name":"Betaine aldehyde","Formula":"C5H12NO","Mass":"102.0919","REGNO":"37683","KEGG ID":"C00576","quantitated m/z":"102.0912423","retention times":"10.81776189"},{"Metabolite":"Cadaverine","RefMet name":"Cadaverine","Formula":"C5H14N2","Mass":"102.1157","REGNO":"38124","KEGG ID":"C01672","quantitated m/z":"103.1231055","retention times":"7.284463094"},{"Metabolite":"Carnitine","RefMet name":"Carnitine","Formula":"C7H15NO3","Mass":"161.1052","REGNO":"42914","KEGG ID":"C00318","quantitated m/z":"162.112445","retention times":"12.29976942"},{"Metabolite":"Carnosine","RefMet name":"Carnosine","Formula":"C9H14N4O3","Mass":"226.1066","REGNO":"37037","KEGG ID":"C00386","quantitated m/z":"114.0610715","retention times":"9.845356146"},{"Metabolite":"Choline","RefMet name":"Choline","Formula":"C5H14NO","Mass":"104.1075","REGNO":"37073","KEGG ID":"C00114","quantitated m/z":"104.1075743","retention times":"9.96813398"},{"Metabolite":"Citrulline","RefMet name":"Citrulline","Formula":"C6H13N3O3","Mass":"175.0957","REGNO":"37494","KEGG ID":"C00327","quantitated m/z":"176.1033241","retention times":"15.83873157"},{"Metabolite":"Creatine","RefMet name":"Creatine","Formula":"C4H9N3O2","Mass":"131.0695","REGNO":"37054","KEGG ID":"C00300","quantitated m/z":"132.0769916","retention times":"12.79744054"},{"Metabolite":"Creatinine","RefMet name":"Creatinine","Formula":"C4H7N3O","Mass":"113.0589","REGNO":"37310","KEGG ID":"C00791","quantitated m/z":"114.066402","retention times":"10.59893424"},{"Metabolite":"Cyclohexylamine","RefMet name":"Cyclohexylamine","Formula":"C6H13N","Mass":"99.1048","REGNO":"44859","KEGG ID":"C00571","quantitated m/z":"100.1125462","retention times":"11.18155096"},{"Metabolite":"Cytidine","RefMet name":"Cytidine","Formula":"C9H13N3O5","Mass":"243.0855","REGNO":"37069","KEGG ID":"C00475","quantitated m/z":"244.0963933","retention times":"13.92262591"},{"Metabolite":"Cytosine","RefMet name":"Cytosine","Formula":"C4H5N3O","Mass":"111.0433","REGNO":"37339","KEGG ID":"C00380","quantitated m/z":"112.0506188","retention times":"10.52696658"},{"Metabolite":"Diethanolamine","RefMet name":"Diethanolamine","Formula":"C4H11NO2","Mass":"105.079","REGNO":"38524","KEGG ID":"C06772","quantitated m/z":"106.0865004","retention times":"11.08703117"},{"Metabolite":"Ectoine","RefMet name":"Ectoine","Formula":"C6H10N2O2","Mass":"142.0742","REGNO":"51381","KEGG ID":"C06231","quantitated m/z":"143.0816539","retention times":"13.6181393"},{"Metabolite":"GABA","RefMet name":"gamma-Aminobutyric acid","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"1864","KEGG ID":"C00334","quantitated m/z":"104.0709555","retention times":"11.14487858"},{"Metabolite":"gamma-Butyrobetaine","RefMet name":"3-Dehydroxycarnitine","Formula":"C7H15NO2","Mass":"145.1103","REGNO":"39059","KEGG ID":"C01181","quantitated m/z":"146.1179438","retention times":"11.69721993"},{"Metabolite":"gamma-Guanidinobutyrate","RefMet name":"4-Guanidinobutanoic acid","Formula":"C5H11N3O2","Mass":"145.0851","REGNO":"38341","KEGG ID":"C01035","quantitated m/z":"146.0929488","retention times":"11.97828935"},{"Metabolite":"Gln","RefMet name":"Glutamine","Formula":"C5H10N2O3","Mass":"146.0691","REGNO":"37346","KEGG ID":"C00064","quantitated m/z":"147.0769932","retention times":"15.41453876"},{"Metabolite":"Glu","RefMet name":"Glutamic acid","Formula":"C5H9NO4","Mass":"147.0532","REGNO":"37101","KEGG ID":"C00025","quantitated m/z":"148.0612879","retention times":"15.65610258"},{"Metabolite":"Gly","RefMet name":"Glycine","Formula":"C2H5NO2","Mass":"75.032","REGNO":"37085","KEGG ID":"C00037","quantitated m/z":"76.0401084","retention times":"12.00625961"},{"Metabolite":"Gly-Gly","RefMet name":"Gly-Gly","Formula":"C4H8N2O3","Mass":"132.053493","REGNO":"78803","KEGG ID":"C02037","quantitated m/z":"133.0605984","retention times":"12.09896087"},{"Metabolite":"Guanidinoacetate","RefMet name":"Guanidoacetic acid","Formula":"C3H7N3O2","Mass":"117.0538","REGNO":"37090","KEGG ID":"C00581","quantitated m/z":"118.0612773","retention times":"11.90367252"},{"Metabolite":"Guanidinosuccinate","RefMet name":"Guanidinosuccinic acid","Formula":"C5H9N3O4","Mass":"175.0593","REGNO":"38261","KEGG ID":"C03139","quantitated m/z":"176.067115","retention times":"14.52679978"},{"Metabolite":"Guanine","RefMet name":"Guanine","Formula":"C5H5N5O","Mass":"151.0494","REGNO":"37093","KEGG ID":"C00242","quantitated m/z":"152.0567117","retention times":"11.99061808"},{"Metabolite":"Guanosine","RefMet name":"Guanosine","Formula":"C10H13N5O5","Mass":"283.0917","REGNO":"37094","KEGG ID":"C00387","quantitated m/z":"284.1005672","retention times":"17.76299951"},{"Metabolite":"His","RefMet name":"Histidine","Formula":"C6H9N3O2","Mass":"155.0695","REGNO":"37119","KEGG ID":"C00135","quantitated m/z":"156.0773522","retention times":"10.58976319"},{"Metabolite":"Histamine","RefMet name":"Histamine","Formula":"C5H9N3","Mass":"111.0796","REGNO":"37476","KEGG ID":"C00388","quantitated m/z":"112.0871174","retention times":"6.980243289"},{"Metabolite":"Homoserine","RefMet name":"Homoserine","Formula":"C4H9NO3","Mass":"119.0582","REGNO":"37385","KEGG ID":"C00263","quantitated m/z":"120.066011","retention times":"14.48384782"},{"Metabolite":"Homovanillate","RefMet name":"Homovanillic acid","Formula":"C9H10O4","Mass":"182.0579","REGNO":"37081","KEGG ID":"C05582","quantitated m/z":"181.0513924","retention times":"16.97091619"},{"Metabolite":"Hydroxyproline","RefMet name":"Hydroxyproline","Formula":"C5H9NO3","Mass":"131.0582","REGNO":"","KEGG ID":"C01015","quantitated m/z":"132.0653183","retention times":"17.19185392"},{"Metabolite":"Hypoxanthine","RefMet name":"Hypoxanthine","Formula":"C5H4N4O","Mass":"136.0385","REGNO":"37106","KEGG ID":"C00262","quantitated m/z":"137.0458327","retention times":"15.79078683"},{"Metabolite":"Ile","RefMet name":"Isoleucine","Formula":"C6H13NO2","Mass":"131.0946","REGNO":"1871","KEGG ID":"C00407","quantitated m/z":"132.1022372","retention times":"14.70279918"},{"Metabolite":"Imidazole-4-acetate","RefMet name":"Imidazoleacetic acid","Formula":"C5H6N2O2","Mass":"126.0429","REGNO":"37979","KEGG ID":"C02835","quantitated m/z":"127.0499516","retention times":"11.59981235"},{"Metabolite":"Indole-3-ethanol","RefMet name":"Tryptophanol","Formula":"C10H11NO","Mass":"161.0841","REGNO":"38334","KEGG ID":"C00955","quantitated m/z":"162.0915838","retention times":"30.34174047"},{"Metabolite":"Inosine","RefMet name":"Inosine","Formula":"C10H12N4O5","Mass":"268.0808","REGNO":"37130","KEGG ID":"C00294","quantitated m/z":"269.0887487","retention times":"27.04447023"},{"Metabolite":"Isoamylamine","RefMet name":"3-Methyl-1-butylamine","Formula":"C5H13N","Mass":"87.104799","REGNO":"45022","KEGG ID":"C02640","quantitated m/z":"88.11207956","retention times":"10.85218607"},{"Metabolite":"Isopropanolamine","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C05771","quantitated m/z":"76.07637697","retention times":"10.20747744"},{"Metabolite":"Leu","RefMet name":"Leucine","Formula":"C6H13NO2","Mass":"131.0946","REGNO":"42493","KEGG ID":"C00123","quantitated m/z":"132.1022522","retention times":"14.84601882"},{"Metabolite":"Lys","RefMet name":"Lysine","Formula":"C6H14N2O2","Mass":"146.1055","REGNO":"37121","KEGG ID":"C00047","quantitated m/z":"147.1135342","retention times":"9.999411694"},{"Metabolite":"Mannosamine","RefMet name":"2-Amino-2-deoxy-D-mannose","Formula":"C6H13NO5","Mass":"179.079373","REGNO":"62133","KEGG ID":"C03570","quantitated m/z":"180.0950043","retention times":"13.13721915"},{"Metabolite":"Met","RefMet name":"Methionine","Formula":"C5H11NO2S","Mass":"149.0511","REGNO":"37371","KEGG ID":"C00073","quantitated m/z":"150.0588389","retention times":"15.38321506"},{"Metabolite":"Methionine sulfoxide","RefMet name":"Methionine sulfoxide","Formula":"C5H11NO3S","Mass":"165.046","REGNO":"57174","KEGG ID":"C02989","quantitated m/z":"166.0533513","retention times":"16.94053929"},{"Metabolite":"N,N-Dimethylglycine","RefMet name":"Dimethylglycine","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"37070","KEGG ID":"C01026","quantitated m/z":"104.0710454","retention times":"15.67341552"},{"Metabolite":"N1,N12-Diacetylspermine","RefMet name":"N1,N12-Diacetylspermine","Formula":"C14H30N4O2","Mass":"286.2369","REGNO":"38057","KEGG ID":"C03413","quantitated m/z":"144.1264029","retention times":"10.97912352"},{"Metabolite":"N1,N8-Diacetylspermidine","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"-","quantitated m/z":"230.1869201","retention times":"14.74750896"},{"Metabolite":"N1-Acetylspermidine","RefMet name":"N1-Acetylspermidine","Formula":"C9H21N3O","Mass":"187.1685","REGNO":"37703","KEGG ID":"C00612","quantitated m/z":"188.1763029","retention times":"9.247991435"},{"Metabolite":"N6,N6,N6-Trimethyllysine","RefMet name":"N-6-Trimethyllysine","Formula":"C9H20N2O2","Mass":"188.1525","REGNO":"37729","KEGG ID":"C03793","quantitated m/z":"189.1601835","retention times":"10.43802155"},{"Metabolite":"N8-Acetylspermidine","RefMet name":"N8-Acetylspermidine","Formula":"C9H21N3O","Mass":"187.1685","REGNO":"38065","KEGG ID":"C01029","quantitated m/z":"188.1761182","retention times":"9.359623462"},{"Metabolite":"N-Acetylglucosamine","RefMet name":"N-Acetyl-D-glucosamine","Formula":"C8H15NO6","Mass":"221.0899","REGNO":"67000","KEGG ID":"C00140","quantitated m/z":"222.0919857","retention times":"30.36852961"},{"Metabolite":"N-Acetylhistidine","RefMet name":"N-Acetylhistidine","Formula":"C8H11N3O3","Mass":"197.08","REGNO":"50500","KEGG ID":"C02997","quantitated m/z":"198.0865857","retention times":"14.12795954"},{"Metabolite":"N-Acetylornithine","RefMet name":"N-Acetylornithine","Formula":"C7H14N2O3","Mass":"174.1004","REGNO":"38303","KEGG ID":"C00437","quantitated m/z":"175.1075887","retention times":"13.78065178"},{"Metabolite":"N-Acetylputrescine","RefMet name":"N-Acetylputrescine","Formula":"C6H14N2O","Mass":"130.1106","REGNO":"38003","KEGG ID":"C02714","quantitated m/z":"131.1182555","retention times":"12.22155514"},{"Metabolite":"N-Acetylvaline","RefMet name":"N-Acetylvaline","Formula":"C7H13NO3","Mass":"159.0895","REGNO":"41524","KEGG ID":"-","quantitated m/z":"160.0970213","retention times":"31.04210501"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","RefMet name":"N,N-Dimethylhistidine","Formula":"C8H13N3O2","Mass":"183.1008","REGNO":"73615","KEGG ID":"C04259","quantitated m/z":"184.1068781","retention times":"12.01612857"},{"Metabolite":"N-epsilon-Acetyllysine","RefMet name":"N6-Acetyllysine","Formula":"C8H16N2O3","Mass":"188.1161","REGNO":"37134","KEGG ID":"C02727","quantitated m/z":"189.1235639","retention times":"16.36669384"},{"Metabolite":"Nicotinamide","RefMet name":"Niacinamide","Formula":"C6H6N2O","Mass":"122.048","REGNO":"37778","KEGG ID":"C00153","quantitated m/z":"123.0555543","retention times":"10.71781244"},{"Metabolite":"N-Methylalanine","RefMet name":"N-Methylalanine","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"49945","KEGG ID":"C02721","quantitated m/z":"104.0711238","retention times":"14.77674762"},{"Metabolite":"N-Methylglutamate","RefMet name":"N-Methyl-glutamic acid","Formula":"C6H11NO4","Mass":"161.0688","REGNO":"50502","KEGG ID":"C01046","quantitated m/z":"162.0758772","retention times":"18.02314781"},{"Metabolite":"O-Acetylserine","RefMet name":"O-Acetylserine","Formula":"C5H9NO4","Mass":"147.0532","REGNO":"38234","KEGG ID":"C00979","quantitated m/z":"148.0608301","retention times":"17.97472079"},{"Metabolite":"Ophthalmate","RefMet name":"Ophthalmic acid","Formula":"C11H19N3O6","Mass":"289.1274","REGNO":"38741","KEGG ID":"-","quantitated m/z":"290.1361272","retention times":"18.8086212"},{"Metabolite":"Ornithine","RefMet name":"Ornithine","Formula":"C5H12N2O2","Mass":"132.0899","REGNO":"37139","KEGG ID":"C00077","quantitated m/z":"133.0974816","retention times":"9.916531111"},{"Metabolite":"p-Aminobenzoate","RefMet name":"P-Aminobenzoic acid","Formula":"C7H7NO2","Mass":"137.0477","REGNO":"37770","KEGG ID":"C00568","quantitated m/z":"138.0549377","retention times":"13.87154932"},{"Metabolite":"Phe","RefMet name":"Phenylalanine","Formula":"C9H11NO2","Mass":"165.079","REGNO":"37108","KEGG ID":"C00079","quantitated m/z":"166.0867795","retention times":"15.89998063"},{"Metabolite":"Pipecolate","RefMet name":"Pipecolic acid","Formula":"C6H11NO2","Mass":"129.079","REGNO":"37384","KEGG ID":"C00408","quantitated m/z":"130.0865543","retention times":"14.78464548"},{"Metabolite":"Pro","RefMet name":"Proline","Formula":"C5H9NO2","Mass":"115.0633","REGNO":"37110","KEGG ID":"C00148","quantitated m/z":"116.0710732","retention times":"15.51336514"},{"Metabolite":"Putrescine(1,4-Butanediamine)","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C00134","quantitated m/z":"89.10773556","retention times":"6.883291027"},{"Metabolite":"Pyridoxamine","RefMet name":"Pyridoxamine","Formula":"C8H12N2O2","Mass":"168.0899","REGNO":"37796","KEGG ID":"C00534","quantitated m/z":"169.0972216","retention times":"8.676699644"},{"Metabolite":"Pyridoxamine 5'-phosphate","RefMet name":"Pyridoxamine 5'-phosphate","Formula":"C8H13N2O5P","Mass":"248.0562","REGNO":"37868","KEGG ID":"C00647","quantitated m/z":"249.0621705","retention times":"15.01723449"},{"Metabolite":"Saccharopine","RefMet name":"Saccharopine","Formula":"C11H20N2O6","Mass":"276.1321","REGNO":"37177","KEGG ID":"C00449","quantitated m/z":"277.1332608","retention times":"15.40840268"},{"Metabolite":"SAM+","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C00019","quantitated m/z":"200.0769476","retention times":"10.32830435"},{"Metabolite":"Sarcosine","RefMet name":"Sarcosine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37173","KEGG ID":"C00213","quantitated m/z":"90.05522785","retention times":"13.6354307"},{"Metabolite":"SDMA","RefMet name":"Symmetric dimethyl-arginine","Formula":"C8H18N4O2","Mass":"202.143","REGNO":"38294","KEGG ID":"-","quantitated m/z":"203.1512363","retention times":"11.3105909"},{"Metabolite":"Ser","RefMet name":"Serine","Formula":"C3H7NO3","Mass":"105.0426","REGNO":"37123","KEGG ID":"C00065","quantitated m/z":"106.0501588","retention times":"14.34081131"},{"Metabolite":"Serotonin","RefMet name":"Serotonin","Formula":"C10H12N2O","Mass":"176.095","REGNO":"37167","KEGG ID":"C00780","quantitated m/z":"177.1030211","retention times":"12.65839999"},{"Metabolite":"Spermidine","RefMet name":"Spermidine","Formula":"C7H19N3","Mass":"145.1579","REGNO":"37687","KEGG ID":"C00315","quantitated m/z":"146.1656083","retention times":"6.625423841"},{"Metabolite":"Taurine","RefMet name":"Taurine","Formula":"C2H7NO3S","Mass":"125.0147","REGNO":"37162","KEGG ID":"C00245","quantitated m/z":"126.0229161","retention times":"30.25323343"},{"Metabolite":"Thiamine","RefMet name":"Thiamine","Formula":"C12H17N4OS","Mass":"265.1123","REGNO":"37152","KEGG ID":"C00378","quantitated m/z":"265.1129598","retention times":"9.624052897"},{"Metabolite":"Thr","RefMet name":"Threonine","Formula":"C4H9NO3","Mass":"119.0582","REGNO":"37113","KEGG ID":"C00188","quantitated m/z":"120.0657983","retention times":"15.0850018"},{"Metabolite":"Thymidine","RefMet name":"Thymidine","Formula":"C10H14N2O5","Mass":"242.0903","REGNO":"37175","KEGG ID":"C00214","quantitated m/z":"243.0998005","retention times":"30.33089324"},{"Metabolite":"Thymine","RefMet name":"Thymine","Formula":"C5H6N2O2","Mass":"126.0429","REGNO":"37168","KEGG ID":"C00178","quantitated m/z":"127.0420829","retention times":"30.31701958"},{"Metabolite":"Trigonelline","RefMet name":"Trigonelline","Formula":"C7H7NO2","Mass":"137.0477","REGNO":"37479","KEGG ID":"C01004","quantitated m/z":"138.0546282","retention times":"15.00926268"},{"Metabolite":"Trimethylamine N-oxide","RefMet name":"Trimethylamine N-oxide","Formula":"C3H9NO","Mass":"75.0684","REGNO":"37502","KEGG ID":"C01104","quantitated m/z":"76.07639348","retention times":"9.596358688"},{"Metabolite":"Trp","RefMet name":"Tryptophan","Formula":"C11H12N2O2","Mass":"204.0899","REGNO":"37505","KEGG ID":"C00078","quantitated m/z":"205.097753","retention times":"15.78280286"},{"Metabolite":"Tyr","RefMet name":"Tyrosine","Formula":"C9H11NO3","Mass":"181.0739","REGNO":"37107","KEGG ID":"C00082","quantitated m/z":"182.0816191","retention times":"16.25639862"},{"Metabolite":"Tyramine","RefMet name":"Tyramine","Formula":"C8H11NO","Mass":"137.0841","REGNO":"37197","KEGG ID":"C00483","quantitated m/z":"138.0916109","retention times":"11.97901718"},{"Metabolite":"Uracil","RefMet name":"Uracil","Formula":"C4H4N2O2","Mass":"112.0273","REGNO":"37192","KEGG ID":"C00106","quantitated m/z":"113.0358042","retention times":"30.31192101"},{"Metabolite":"Urea","RefMet name":"Urea","Formula":"CH4N2O","Mass":"60.0324","REGNO":"37188","KEGG ID":"C00086","quantitated m/z":"61.04072233","retention times":"29.13536562"},{"Metabolite":"Uridine","RefMet name":"Uridine","Formula":"C9H12N2O6","Mass":"244.0695","REGNO":"37190","KEGG ID":"C00299","quantitated m/z":"245.0847233","retention times":"30.3207496"},{"Metabolite":"Urocanate","RefMet name":"Urocanic acid","Formula":"C6H6N2O2","Mass":"138.0429","REGNO":"37193","KEGG ID":"C00785","quantitated m/z":"139.0506169","retention times":"11.98268369"},{"Metabolite":"Val","RefMet name":"Valine","Formula":"C5H11NO2","Mass":"117.079","REGNO":"37484","KEGG ID":"C00183","quantitated m/z":"118.0867309","retention times":"14.43263605"},{"Metabolite":"Xanthine","RefMet name":"Xanthine","Formula":"C5H4N4O2","Mass":"152.0334","REGNO":"37186","KEGG ID":"C00385","quantitated m/z":"153.0397021","retention times":"26.95482365"},{"Metabolite":"Xanthurenate","RefMet name":"Xanthurenic acid","Formula":"C10H7NO4","Mass":"205.0375","REGNO":"37483","KEGG ID":"C02470","quantitated m/z":"204.0294232","retention times":"12.26327891"},{"Metabolite":"1-Methylhistamine","RefMet name":"1-Methylhistamine","Formula":"C6H11N3","Mass":"125.0953","REGNO":"37490","KEGG ID":"C05127","quantitated m/z":"126.1023834","retention times":"7.187540542"},{"Metabolite":"1-Methylnicotinamide","RefMet name":"1-Methyl nicotinamide","Formula":"C7H9N2O","Mass":"137.0715","REGNO":"67157","KEGG ID":"C02918","quantitated m/z":"137.0705129","retention times":"10.66825088"},{"Metabolite":"1,3-Diaminopropane","RefMet name":"1,3-Diaminopropane","Formula":"C3H10N2","Mass":"74.0844","REGNO":"37023","KEGG ID":"C00986","quantitated m/z":"75.09226448","retention times":"6.448843942"},{"Metabolite":"3-Aminoisobutyrate","RefMet name":"3-Amino-isobutanoic acid","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"1878","KEGG ID":"C05145","quantitated m/z":"104.0712914","retention times":"11.35751866"},{"Metabolite":"3-Indoxyl sulfate","RefMet name":"Indoxyl sulfate","Formula":"C8H7NO4S","Mass":"213.0096","REGNO":"37364","KEGG ID":"-","quantitated m/z":"212.0034835","retention times":"14.7989129"},{"Metabolite":"3-Methylhistidine","RefMet name":"3-Methylhistidine","Formula":"C7H11N3O2","Mass":"169.0851","REGNO":"37269","KEGG ID":"C01152","quantitated m/z":"170.0921671","retention times":"10.87887166"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","RefMet name":"N-Acetylhistamine","Formula":"C7H11N3O","Mass":"153.0902","REGNO":"42275","KEGG ID":"C05135","quantitated m/z":"154.0970715","retention times":"12.19647834"},{"Metabolite":"4-Hydroxymethylimidazole","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C05562","quantitated m/z":"99.05544897","retention times":"10.14118275"},{"Metabolite":"5-Aminolevulinate","RefMet name":"5-Amino-levulinic acid","Formula":"C5H9NO3","Mass":"131.0582","REGNO":"1879","KEGG ID":"C00430","quantitated m/z":"132.0671254","retention times":"11.56273259"},{"Metabolite":"5-Aminovalerate","RefMet name":"5-Aminopentanoic acid","Formula":"C5H11NO2","Mass":"117.079","REGNO":"1865","KEGG ID":"C00431","quantitated m/z":"118.0868661","retention times":"11.61156796"},{"Metabolite":"5-Hydroxyindoleacetate","RefMet name":"5-Hydroxyindoleacetic acid","Formula":"C10H9NO3","Mass":"191.0582","REGNO":"37412","KEGG ID":"C05635","quantitated m/z":"192.0660118","retention times":"30.59015511"},{"Metabolite":"5-Hydroxylysine","RefMet name":"5-Hydroxylysine","Formula":"C6H14N2O3","Mass":"162.1004","REGNO":"37255","KEGG ID":"C16741","quantitated m/z":"163.1083171","retention times":"10.39463946"},{"Metabolite":"5-Methyl-2'-deoxycytidine","RefMet name":"5-Methyl-2'-deoxycytidine","Formula":"C10H15N3O4","Mass":"241.106256","REGNO":"52469","KEGG ID":"C03592","quantitated m/z":"242.1132661","retention times":"14.05903748"},{"Metabolite":"5-Methylcytosine","RefMet name":"5-Methylcytosine","Formula":"C5H7N3O","Mass":"125.0589","REGNO":"38217","KEGG ID":"C02376","quantitated m/z":"126.0661045","retention times":"11.29773465"},{"Metabolite":"5-Methylthioadenosine","RefMet name":"5'-Methylthioadenosine","Formula":"C11H15N5O3S","Mass":"297.0896","REGNO":"37638","KEGG ID":"C00170","quantitated m/z":"298.0971937","retention times":"14.48977814"},{"Metabolite":"7-Methylguanine","RefMet name":"7-Methylguanine","Formula":"C6H7N5O","Mass":"165.0651","REGNO":"37489","KEGG ID":"C02242","quantitated m/z":"166.0728755","retention times":"11.89281282"}]
}
}