{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000327","ANALYSIS_ID":"AN000521","VERSION":"1","CREATED_ON":"January 15, 2016, 12:53 pm"},

"PROJECT":{"PROJECT_TITLE":"Primary metabolites at different points along dog gastrointestinal tract","PROJECT_SUMMARY":"This experiment tests the primary metabolites at four different points along the gastrointestinal tract of a dog. The four points being tested were the duodenum, ileum, colon, and rectum.","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, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"U24DK097154"},

"STUDY":{"STUDY_TITLE":"Primary metabolites at different points along dog gastrointestinal tract","STUDY_SUMMARY":"This experiment tests the primary metabolites at four different points along the gastrointestinal tract of a dog. The four points being tested were the duodenum, ileum, colon, and rectum.","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, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","NUM_GROUPS":"8","TOTAL_SUBJECTS":"48"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Canis lupus familiaris"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"C_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"D_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"E_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"F_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"G_duod",
"Factors":{"Organ":"Duodenum"}
},
{
"Subject ID":"-",
"Sample ID":"A_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"C_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"D_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"E_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"F_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"G_ileum",
"Factors":{"Organ":"Ileum"}
},
{
"Subject ID":"-",
"Sample ID":"A_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"C_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"D_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"E_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"F_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"G_colon",
"Factors":{"Organ":"Colon"}
},
{
"Subject ID":"-",
"Sample ID":"A_rectum",
"Factors":{"Organ":"Rectum"}
},
{
"Subject ID":"-",
"Sample ID":"C_rectum",
"Factors":{"Organ":"Rectum"}
},
{
"Subject ID":"-",
"Sample ID":"D_rectum",
"Factors":{"Organ":"Rectum"}
},
{
"Subject ID":"-",
"Sample ID":"E_rectum",
"Factors":{"Organ":"Rectum"}
},
{
"Subject ID":"-",
"Sample ID":"F_rectum",
"Factors":{"Organ":"Rectum"}
},
{
"Subject ID":"-",
"Sample ID":"G_rectum",
"Factors":{"Organ":"Rectum"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were collected from dogs euthanized for an unrelated reason. From 6 different dogs, samples were taken from 4 different sites along the gastrointestinal tract (callingthese treatments). Samples were frozen at 80, then thawed to aliquot into 100mg portions, and refrozen at 80 and shipped on dry ice. No other preparation/additives.","COLLECTION_PROTOCOL_COMMENTS":"StudyDesign-JuliaHonneffer-101614.pdf"},

"TREATMENT":{"TREATMENT_SUMMARY":"Different sites along the gastrointestinal tract (duodenum, ileum, colon, rectum).","TREATMENT_PROTOCOL_FILENAME":"StudyDesign-JuliaHonneffer-101614.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Unspecified","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)","FLOW_GRADIENT":"100% B to 30% B","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"45 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_HILIC QTOF MS.pdf","COLUMN_PRESSURE":"200-700 bar","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"3 uL","ANALYTICAL_TIME":"14 min","CAPILLARY_VOLTAGE":"4500","TIME_PROGRAM":"16.75 min","WEAK_WASH_SOLVENT_NAME":"1:1 ACN:H2O","WEAK_WASH_VOLUME":"5 seconds","STRONG_WASH_SOLVENT_NAME":"1:1 ACN:H2O","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs","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","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_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"Acylcarnitine (C12:1) [M+H]+","A_duod":"19935.16797","C_duod":"272112.125","D_duod":"21164.11523","E_duod":"18038.62109","F_duod":"9599.544922","G_duod":"41270.79297","A_ileum":"14214.18066","C_ileum":"105504.4063","D_ileum":"33596.39844","E_ileum":"58720.41406","F_ileum":"67290.21094","G_ileum":"179273.8438","A_colon":"43350.77734","C_colon":"200371.625","D_colon":"6369.544922","E_colon":"2874.375732","F_colon":"86219.15625","G_colon":"96023.55469","A_rectum":"2959.90918","C_rectum":"112322.5313","D_rectum":"22688.7832","E_rectum":"16832.04297","F_rectum":"17047.33008","G_rectum":"2174.994141"},{"Metabolite":"Acylcarnitine (C14:1) [M+H]+","A_duod":"55775.35156","C_duod":"51177.34375","D_duod":"34319.48438","E_duod":"22622.38477","F_duod":"19279.32813","G_duod":"19351.14063","A_ileum":"27565.76758","C_ileum":"103039.8594","D_ileum":"60313.91797","E_ileum":"66523.11719","F_ileum":"76833.53125","G_ileum":"176512.5469","A_colon":"135949.0781","C_colon":"129997.0625","D_colon":"20238.41992","E_colon":"34616.09375","F_colon":"86884.15625","G_colon":"126288.1875","A_rectum":"13664.72461","C_rectum":"94260.16406","D_rectum":"54872.14063","E_rectum":"74601.25781","F_rectum":"19494.91797","G_rectum":"18718.63086"},{"Metabolite":"Acylcarnitine (C14:2) [M+H]+","A_duod":"81423.57813","C_duod":"45969.24219","D_duod":"39010.69922","E_duod":"26389.25977","F_duod":"23771.04492","G_duod":"17878.54297","A_ileum":"37417.8125","C_ileum":"134898.1719","D_ileum":"57029.75391","E_ileum":"28826.3418","F_ileum":"98204.75781","G_ileum":"102200.8359","A_colon":"119763.2422","C_colon":"90933.3125","D_colon":"8797.857422","E_colon":"2869.521484","F_colon":"86340.75781","G_colon":"29541.82227","A_rectum":"5391.355957","C_rectum":"51451.76953","D_rectum":"32675.79102","E_rectum":"10184.46777","F_rectum":"13649.17773","G_rectum":"3754.660156"},{"Metabolite":"Acylcarnitine (C16:2) [M+H]+","A_duod":"38427.40234","C_duod":"16075.18555","D_duod":"22882.20508","E_duod":"9128.848633","F_duod":"12548.55078","G_duod":"10254.17383","A_ileum":"42138.73438","C_ileum":"116538.0938","D_ileum":"48272.07031","E_ileum":"26481.63281","F_ileum":"69021.86719","G_ileum":"51613.23047","A_colon":"220955.25","C_colon":"52269.1875","D_colon":"26513.1875","E_colon":"11420.88281","F_colon":"86056.78906","G_colon":"22983.39453","A_rectum":"18377.58789","C_rectum":"12587.26172","D_rectum":"47078.73438","E_rectum":"11039.72754","F_rectum":"13113.23828","G_rectum":"8195.274414"},{"Metabolite":"Acylcarnitine (C2:0) [M+H]+","A_duod":"424894.4063","C_duod":"252743.9844","D_duod":"508385.6563","E_duod":"198263.9844","F_duod":"401190.5938","G_duod":"122414.3125","A_ileum":"753712.4375","C_ileum":"217773.7031","D_ileum":"1048090.813","E_ileum":"446662.9375","F_ileum":"293781.625","G_ileum":"41106.84766","A_colon":"193583.8594","C_colon":"73956.89063","D_colon":"17516.77539","E_colon":"14452.87891","F_colon":"638311.5","G_colon":"44568.83203","A_rectum":"22128.48633","C_rectum":"41553.19922","D_rectum":"39464.73438","E_rectum":"19453.38672","F_rectum":"129530.6797","G_rectum":"6960.38623"},{"Metabolite":"Acylcarnitine (C3:0) [M+H]+","A_duod":"348778.2188","C_duod":"86985.38281","D_duod":"152773.3906","E_duod":"143652","F_duod":"241126.4063","G_duod":"48755.33984","A_ileum":"293981.125","C_ileum":"116733.7656","D_ileum":"171902.0781","E_ileum":"360397.4688","F_ileum":"192666.0625","G_ileum":"22749.54102","A_colon":"23539.62305","C_colon":"14413.73145","D_colon":"2419.170166","E_colon":"2174.038574","F_colon":"120379.6406","G_colon":"15228.04199","A_rectum":"2217.148438","C_rectum":"10505.83789","D_rectum":"2618.456055","E_rectum":"3188.444336","F_rectum":"9480.492188","G_rectum":""},{"Metabolite":"Acylcarnitine (C4:0) [M+H]+","A_duod":"503031.1563","C_duod":"325762.9688","D_duod":"250773.8906","E_duod":"124983.9766","F_duod":"285236.5625","G_duod":"97085.57813","A_ileum":"631321.375","C_ileum":"457398.8125","D_ileum":"246050.75","E_ileum":"459210.6875","F_ileum":"204745.1563","G_ileum":"31772.98242","A_colon":"35697.30859","C_colon":"121519.8594","D_colon":"2273.624512","E_colon":"2937.39624","F_colon":"123759.5078","G_colon":"13786.88281","A_rectum":"9019.548828","C_rectum":"44111.82813","D_rectum":"4704.361816","E_rectum":"3018.547363","F_rectum":"17606.78711","G_rectum":"2070.391113"},{"Metabolite":"adenosine","A_duod":"86251.04688","C_duod":"91095.44531","D_duod":"221253.5","E_duod":"69273.71875","F_duod":"138375.1094","G_duod":"89469.53125","A_ileum":"25577.53906","C_ileum":"8273.488281","D_ileum":"9134.334961","E_ileum":"11713.80469","F_ileum":"28000.67188","G_ileum":"7106.585449","A_colon":"123923.6406","C_colon":"44118.48047","D_colon":"125810.6172","E_colon":"30955.85156","F_colon":"160564.0156","G_colon":"384395.4375","A_rectum":"375470.4375","C_rectum":"25184.86328","D_rectum":"98711.8125","E_rectum":"35280.63672","F_rectum":"102152.9609","G_rectum":"224528.8438"},{"Metabolite":"Aspartate","A_duod":"387616.8438","C_duod":"517549.5938","D_duod":"251676.1406","E_duod":"570769.3125","F_duod":"735156.6875","G_duod":"360759.8125","A_ileum":"42278.69141","C_ileum":"57444.55469","D_ileum":"35074.92969","E_ileum":"1066413.75","F_ileum":"408922.75","G_ileum":"78102.375","A_colon":"27484.79883","C_colon":"3950.298584","D_colon":"3152.152344","E_colon":"12293.52148","F_colon":"3889.387939","G_colon":"6651.086914","A_rectum":"5911.330566","C_rectum":"","D_rectum":"9745.795898","E_rectum":"6961.768555","F_rectum":"2299.150635","G_rectum":""},{"Metabolite":"Choline [M]+","A_duod":"7397638","C_duod":"8145677","D_duod":"7385868.5","E_duod":"7752626.5","F_duod":"7647922.5","G_duod":"7308707","A_ileum":"6683986","C_ileum":"4475563","D_ileum":"6355160","E_ileum":"6758225","F_ileum":"6496973.5","G_ileum":"7607652","A_colon":"1125959.875","C_colon":"2755204.5","D_colon":"1282292.25","E_colon":"2476709","F_colon":"757523.875","G_colon":"1284173.375","A_rectum":"1222133.75","C_rectum":"4113471.25","D_rectum":"2605579","E_rectum":"3177568.5","F_rectum":"2600573.25","G_rectum":"1622195.25"},{"Metabolite":"cytidine","A_duod":"428938.9688","C_duod":"595517.8125","D_duod":"488417.0313","E_duod":"625000.8125","F_duod":"478396.6875","G_duod":"624073","A_ileum":"48481.12891","C_ileum":"4241.239258","D_ileum":"60319.5625","E_ileum":"220241.625","F_ileum":"12987.9834","G_ileum":"3730.730957","A_colon":"60892.42969","C_colon":"5890.978027","D_colon":"17632.56445","E_colon":"11645.00586","F_colon":"17843.79102","G_colon":"26400.43359","A_rectum":"38197.37109","C_rectum":"3413.976318","D_rectum":"22833.6582","E_rectum":"4370.807617","F_rectum":"13553.60742","G_rectum":"11464.96777"},{"Metabolite":"DL-dihydrosphingosine","A_duod":"3120.810791","C_duod":"10973.10449","D_duod":"3621.604248","E_duod":"2063.4104","F_duod":"2091.041748","G_duod":"3808.687012","A_ileum":"6584.105469","C_ileum":"71135.53906","D_ileum":"21379.76172","E_ileum":"100411.7188","F_ileum":"42836.66797","G_ileum":"68975.94531","A_colon":"177640.4219","C_colon":"109112.4141","D_colon":"156737.9531","E_colon":"239491.1406","F_colon":"382286.6875","G_colon":"42328.62891","A_rectum":"439286.625","C_rectum":"17316.41016","D_rectum":"149587.9844","E_rectum":"52907.46484","F_rectum":"62792.21094","G_rectum":"38350.27344"},{"Metabolite":"histamine","A_duod":"85315.42969","C_duod":"","D_duod":"25698.56055","E_duod":"35077.69531","F_duod":"144452.4219","G_duod":"40556.9375","A_ileum":"60520.58203","C_ileum":"1331994.25","D_ileum":"","E_ileum":"100922.8984","F_ileum":"143792.4531","G_ileum":"301130.9375","A_colon":"28230.92969","C_colon":"727975.625","D_colon":"12668.78223","E_colon":"777397.375","F_colon":"40764.85156","G_colon":"16393.42188","A_rectum":"19264.73047","C_rectum":"298780.9688","D_rectum":"12941.25098","E_rectum":"1954171.75","F_rectum":"38799.51953","G_rectum":"18723.24414"},{"Metabolite":"Isoleucine 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