{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000698","ANALYSIS_ID":"AN001084","VERSION":"1","CREATED_ON":"July 1, 2017, 4:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Analysis of Sirt5 knockdown (KD) melanoma","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Sirt5 nontageted metabolites analysis","INSTITUTE":"University of Michigan","DEPARTMENT":"UMich Pathology","LABORATORY":"Lombard Lab","LAST_NAME":"Beecher","FIRST_NAME":"Chris","ADDRESS":"University Michigan, 2900 Huron Parkway, Ann Arbor, MI 48105","EMAIL":"chrisbee@med.umich.edu","PHONE":"734-232-0815"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of Sirt5 knockdown (KD) melanoma","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"Determine what kind of metabolites changing with Sirt5 KD. Con stands for the different condition of media","INSTITUTE":"University of Michigan","DEPARTMENT":"Biomedical Research Core Facilities","LABORATORY":"Metabolomics core","LAST_NAME":"Kachman","FIRST_NAME":"Maureen","ADDRESS":"6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714","EMAIL":"mkachman@med.umich.edu","PHONE":"(734) 232-8175","NUM_GROUPS":"3","TOTAL_SUBJECTS":"7"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0012208",
"Sample ID":"S00018244",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012208",
"Sample ID":"S00018245",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012208",
"Sample ID":"S00018246",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012208",
"Sample ID":"S00018247",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012208",
"Sample ID":"S00018248",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012209",
"Sample ID":"S00018249",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012209",
"Sample ID":"S00018250",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012209",
"Sample ID":"S00018251",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012209",
"Sample ID":"S00018252",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012209",
"Sample ID":"S00018253",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012210",
"Sample ID":"S00018254",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012210",
"Sample ID":"S00018255",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012210",
"Sample ID":"S00018256",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012210",
"Sample ID":"S00018257",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012210",
"Sample ID":"S00018258",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012211",
"Sample ID":"S00018259",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012211",
"Sample ID":"S00018260",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012211",
"Sample ID":"S00018261",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012211",
"Sample ID":"S00018262",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012211",
"Sample ID":"S00018263",
"Factors":{"Condition":"yes","KD#1":"no","KD#2":"no"}
},
{
"Subject ID":"SU0012212",
"Sample ID":"S00018264",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012212",
"Sample ID":"S00018265",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012212",
"Sample ID":"S00018266",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012212",
"Sample ID":"S00018267",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012212",
"Sample ID":"S00018268",
"Factors":{"Condition":"no","KD#1":"yes","KD#2":"no"}
},
{
"Subject ID":"SU0012213",
"Sample ID":"S00018269",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU0012213",
"Sample ID":"S00018270",
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{
"Subject ID":"SU0012213",
"Sample ID":"S00018271",
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{
"Subject ID":"SU0012213",
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"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
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{
"Subject ID":"SU0012213",
"Sample ID":"S00018273",
"Factors":{"Condition":"no","KD#1":"no","KD#2":"yes"}
},
{
"Subject ID":"SU9999996",
"Sample ID":"S00020150",
"Factors":{"Condition":"Pooled melanoma","KD#1":"Pooled melanoma","KD#2":"Pooled melanoma"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A003 - Untargeted Metabolomics.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A003 - Untargeted Metabolomics.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

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

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}