{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000082","ANALYSIS_ID":"AN000133","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal Patients: Unraveling the Link Between Adipose Tissue and Cancer","PROJECT_TYPE":"biomarker study","PROJECT_SUMMARY":"This West Coast Metabolomics Center pilot and feasibility project was granted Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, In the current investigation, unbiased profiling of the metabolome and lipidome adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 patients, including stages I-IV, from the Fred Hutchinson Cancer Center and the German Cancer Research Center (Heidelberg, Germany) was conducted. The and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary of this project were to 1) compare the metabolome and lipidome of matched VAT SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) the associations between the lipidome and metabolome in adipose tissue and serum of n=50 CRC patients and 3) test the associations between the of VAT and serum with the tumor stage of CRC patients.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"NIH U24DK097154"},

"STUDY":{"STUDY_TITLE":"Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal Patients: UHPLC-QTOF MS analyis of serum samples","STUDY_TYPE":"biomarker study","STUDY_SUMMARY":"This West Coast Metabolomics Center pilot and feasibility project was granted Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, In the current investigation, unbiased profiling of the metabolome and lipidome adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 patients, including stages I-IV, from the Fred Hutchinson Cancer Center and the German Cancer Research Center (Heidelberg, Germany) was conducted. The and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively.  The primary of this project were to 1) compare the metabolome and lipidome SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) the associations between the lipidome and metabolome in adipose tissue and serum of n=50 CRC patients and 3) test the associations between the of VAT and serum with the tumor stage of CRC patients. ","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","NUM_GROUPS":"1","TOTAL_SUBJECTS":"59","STUDY_COMMENTS":"Lipidomics profiles for studyThis is the serum part of the studyLabel-ID os for all parts of the study---"},

"SUBJECT":{"SUBJECT_TYPE":"serum","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","SPECIES_GROUP":"Human"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"QC01",
"Factors":{"Source":"Pooled Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"QC02",
"Factors":{"Source":"Pooled Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"QC03",
"Factors":{"Source":"Pooled Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled MSMS.d",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 1",
"Sample ID":"S1",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 10",
"Sample ID":"S10",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 11",
"Sample ID":"S11",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 12",
"Sample ID":"S12",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 13",
"Sample ID":"S13",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 14",
"Sample ID":"S14",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 15",
"Sample ID":"S15",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 16",
"Sample ID":"S16",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 17",
"Sample ID":"S17",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 18",
"Sample ID":"S18",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 19",
"Sample ID":"S19",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 2",
"Sample ID":"S2",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 20",
"Sample ID":"S20",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 21",
"Sample ID":"S21",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 22",
"Sample ID":"S22",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 23",
"Sample ID":"S23",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 24",
"Sample ID":"S24",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 25",
"Sample ID":"S25",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 26",
"Sample ID":"S26",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 27",
"Sample ID":"S27",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 28",
"Sample ID":"S28",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 29",
"Sample ID":"S29",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 3",
"Sample ID":"S3",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 30",
"Sample ID":"S30",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 31",
"Sample ID":"S31",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 32",
"Sample ID":"S32",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 33",
"Sample ID":"S33",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 34",
"Sample ID":"S34",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 35",
"Sample ID":"S35",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 36",
"Sample ID":"S36",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 37",
"Sample ID":"S37",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 38",
"Sample ID":"S38",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 39",
"Sample ID":"S39",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 4",
"Sample ID":"S4",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 40",
"Sample ID":"S40",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 41",
"Sample ID":"S41",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 42",
"Sample ID":"S42",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 43",
"Sample ID":"S43",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 44",
"Sample ID":"S44",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 45",
"Sample ID":"S45",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 46",
"Sample ID":"S46",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 47",
"Sample ID":"S47",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 48",
"Sample ID":"S48",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 49",
"Sample ID":"S49",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 5",
"Sample ID":"S5",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 50",
"Sample ID":"S50",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 51",
"Sample ID":"S51",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 52",
"Sample ID":"S52",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 53",
"Sample ID":"S53",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 54",
"Sample ID":"S54",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 55",
"Sample ID":"S55",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 56",
"Sample ID":"S56",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 57",
"Sample ID":"S57",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 58",
"Sample ID":"S58",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 59",
"Sample ID":"S59",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 6",
"Sample ID":"S6",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 7",
"Sample ID":"S7",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 8",
"Sample ID":"S8",
"Factors":{"Source":"Serum"}
},
{
"Subject ID":"Patient 9",
"Sample ID":"S9",
"Factors":{"Source":"Serum"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","COLLECTION_PROTOCOL_FILENAME":"Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf","SAMPLE_TYPE":"Human serum"},

"TREATMENT":{"TREATMENT_SUMMARY":"-","TREATMENT_PROTOCOL_FILENAME":"Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf;Subcutaneous_and_Visceral_Fat_Extraction_Protocol.docx","SAMPLEPREP_PROTOCOL_COMMENTS":"see Subcutaneous and Visceral Fat Extraction Protocol.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) Pre-Column","METHODS_FILENAME":"Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf","COLUMN_PRESSURE":"450-850 bar","COLUMN_TEMPERATURE":"65 C","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"1.67 uL","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","ANALYTICAL_TIME":"13 min","CAPILLARY_VOLTAGE":"3500","TIME_PROGRAM":"15 min","WEAK_WASH_SOLVENT_NAME":"Isopropanol","WEAK_WASH_VOLUME":"5 seconds","STRONG_WASH_SOLVENT_NAME":"Same","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"WCMC Metabolomics Core","SOFTWARE_VERSION":"MassHunter","DETECTOR_TYPE":"TOF MCP","DATA_FORMAT":".d"},

"MS":{"INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"8 l/min","DRY_GAS_TEMP":"325","FRAGMENT_VOLTAGE":"120","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"325","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Pos","PRECURSOR_TYPE":"Intact Molecule","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DATAFORMAT":".d","DESOLVATION_GAS_FLOW":"11 l/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750","RESOLUTION_SETTING":"Extended Dynamic Range","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65","MS_COMMENTS":"ESI/QTOF MS analysis (positive ion mode)"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"1-Linoleoyl-2-stearoyl-sn-glycero-3-phospho-(1^-sn-glycerol)","QC01":"69487.7085","QC02":"70428.6114","QC03":"67705.0944","S1":"77899.1855","S10":"48733.2867","S11":"124613.7709","S12":"98510.9168","S13":"58421.4414","S14":"65868.4710","S15":"57517.1250","S16":"104279.9077","S17":"42274.5912","S18":"94912.0239","S19":"114829.4493","S2":"75825.8660","S20":"84594.7323","S21":"70830.7760","S22":"71540.9065","S23":"68540.8208","S24":"92432.5954","S25":"90139.5228","S26":"102402.1017","S27":"89059.2167","S28":"75017.8911","S29":"73826.2478","S3":"102724.7900","S30":"69602.1579","S31":"46628.0344","S32":"81518.8193","S33":"69641.5345","S34":"65972.7220","S35":"104697.0949","S36":"48168.2231","S37":"116814.4520","S38":"159284.9240","S39":"68529.6979","S4":"90114.8053","S40":"73586.8522","S41":"82858.4323","S42":"89479.1207","S43":"55356.8576","S44":"50074.5493","S45":"63164.0267","S46":"74490.9557","S47":"72052.9981","S48":"82796.5426","S49":"83735.0390","S5":"45066.9893","S50":"80780.9293","S51":"51195.7625","S52":"45845.1183","S53":"57214.2703","S54":"65923.7829","S55":"122554.3811","S56":"66613.4358","S57":"88799.6443","S58":"124517.5276","S59":"80823.1603","S6":"97125.0490","S7":"81842.5116","S8":"71008.3897","S9":"90220.4997"},{"Metabolite":"1-Octadecanoyl-sn-glycero-3-phosphoethanolamine","QC01":"4506.1153","QC02":"4413.7012","QC03":"4675.5617","S1":"4218.6552","S10":"2643.2558","S11":"4911.8964","S12":"3811.8954","S13":"2885.8296","S14":"4461.0522","S15":"3765.8078","S16":"7534.7496","S17":"3806.2678","S18":"4977.6998","S19":"2714.2361","S2":"4805.9894","S20":"2450.8293","S21":"2567.2020","S22":"4274.6444","S23":"3207.2317","S24":"4105.8153","S25":"4011.1621","S26":"3121.3627","S27":"3969.7996","S28":"5401.7502","S29":"2745.5444","S3":"4017.5121","S30":"2747.9510","S31":"5022.2008","S32":"3931.0486","S33":"3981.6446","S34":"4264.4083","S35":"5431.0961","S36":"2596.5247","S37":"4956.2750","S38":"4774.9592","S39":"2255.2967","S4":"5725.1960","S40":"3395.8404","S41":"5177.0968","S42":"4377.3850","S43":"2407.6095","S44":"6687.1577","S45":"2394.2028","S46":"2235.0714","S47":"3473.3166","S48":"1936.2392","S49":"3567.0976","S5":"3485.6549","S50":"5988.7317","S51":"1954.6073","S52":"3165.2712","S53":"4627.7040","S54":"5888.2603","S55":"5459.4371","S56":"3897.3836","S57":"3184.6123","S58":"3267.5703","S59":"3699.9731","S6":"3883.6607","S7":"4838.5156","S8":"3406.3985","S9":"3707.7316"},{"Metabolite":"Acetyl-L-carnitine","QC01":"16386.9862","QC02":"20132.3997","QC03":"25650.8540","S1":"58989.4876","S10":"112477.9413","S11":"41937.4560","S12":"106505.7088","S13":"63563.6749","S14":"839860.7099","S15":"55036.6942","S16":"106058.0967","S17":"51363.8362","S18":"11178.6639","S19":"57741.8403","S2":"1388257.1470","S20":"69051.8042","S21":"140453.3070","S22":"65106.1401","S23":"87515.5610","S24":"41769.1194","S25":"102596.2589","S26":"99431.1982","S27":"38918.8321","S28":"123389.4499","S29":"64066.3689","S3":"372312.4221","S30":"146104.3463","S31":"45122.1639","S32":"17321.6613","S33":"52205.3029","S34":"87686.4647","S35":"48964.5151","S36":"48159.8825","S37":"64347.7242","S38":"67431.9043","S39":"207384.2676","S4":"185498.5376","S40":"181268.2650","S41":"41996.8681","S42":"31490.1327","S43":"139149.7459","S44":"30188.1691","S45":"120348.6686","S46":"209979.8736","S47":"43986.0337","S48":"176956.0063","S49":"81304.8596","S5":"74977.5126","S50":"28561.4439","S51":"98429.5335","S52":"164515.8784","S53":"42383.5338","S54":"61448.8689","S55":"40885.2298","S56":"50016.4680","S57":"49584.0753","S58":"81297.8342","S59":"100253.1891","S6":"97763.0432","S7":"33454.3730","S8":"64596.7575","S9":"73757.0489"},{"Metabolite":"Acylcarnitine C10:0","QC01":"4405.4389","QC02":"4574.7378","QC03":"4929.2017","S1":"21905.3566","S10":"44479.1072","S11":"16900.1563","S12":"47573.3931","S13":"13024.2092","S14":"34593.8735","S15":"35726.9177","S16":"26688.7531","S17":"83673.5260","S18":"8701.2515","S19":"30399.9284","S2":"41646.7406","S20":"15291.3110","S21":"33924.6554","S22":"14731.1255","S23":"19995.9347","S24":"7892.1586","S25":"47642.3862","S26":"35526.4275","S27":"17322.6979","S28":"8140.5391","S29":"37461.8630","S3":"16633.3401","S30":"31437.9959","S31":"22349.5616","S32":"17720.8067","S33":"25929.9453","S34":"15993.7272","S35":"49980.8377","S36":"11239.4845","S37":"54338.6055","S38":"31928.5867","S39":"10933.3257","S4":"16220.5612","S40":"25240.3059","S41":"17498.5543","S42":"11244.5656","S43":"27251.6758","S44":"5074.0709","S45":"24749.4214","S46":"18373.0268","S47":"15221.7224","S48":"23803.8831","S49":"68275.1061","S5":"22471.1211","S50":"11639.7402","S51":"18473.3101","S52":"121810.6791","S53":"31766.9625","S54":"34856.3412","S55":"19233.1535","S56":"26509.2747","S57":"17999.0687","S58":"78295.4895","S59":"83082.3326","S6":"24373.1036","S7":"20574.5128","S8":"31359.4844","S9":"23927.9320"},{"Metabolite":"Acylcarnitine C16:0","QC01":"4783.5310","QC02":"4217.5291","QC03":"3804.5886","S1":"12482.4994","S10":"14489.7898","S11":"9281.5829","S12":"11524.4959","S13":"14825.8165","S14":"16301.3856","S15":"15571.6780","S16":"22812.0040","S17":"11984.3415","S18":"11235.1166","S19":"13379.7151","S2":"16115.6989","S20":"9690.8572","S21":"18484.7694","S22":"10832.3176","S23":"14783.5412","S24":"8085.2954","S25":"18415.9247","S26":"11672.4145","S27":"9219.9793","S28":"13633.3980","S29":"11009.7672","S3":"12999.0401","S30":"17930.6241","S31":"16560.8577","S32":"10039.4967","S33":"15704.8101","S34":"18243.7495","S35":"11294.1430","S36":"12422.2861","S37":"17832.0802","S38":"13762.7663","S39":"16502.5353","S4":"14405.7529","S40":"10294.0718","S41":"13441.6791","S42":"7415.7771","S43":"17681.4567","S44":"11072.7161","S45":"15672.0592","S46":"14802.1874","S47":"14496.8017","S48":"13244.2134","S49":"13475.6296","S5":"12633.4863","S50":"8955.9128","S51":"11166.9690","S52":"21846.8621","S53":"14887.4353","S54":"10290.3583","S55":"8459.3744","S56":"12446.9548","S57":"12298.4907","S58":"16350.2538","S59":"13291.0642","S6":"11739.5972","S7":"15159.1660","S8":"15105.7750","S9":"20850.5870"},{"Metabolite":"Acylcarnitine 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}

}