{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000323","ANALYSIS_ID":"AN000514","VERSION":"1","CREATED_ON":"January 15, 2016, 12:53 pm"},

"PROJECT":{"PROJECT_TITLE":"Progesterone level effects on primary metabolites in uterus, blood, and ovaries","PROJECT_SUMMARY":"In this experiment a hormonal protocol was applied to control follicle growth to yield larger or smaller preovulatory follicle and CLs and consequently different circulating Progesterone (P4) concentrations during early diestrus. The two different animal's group are: high or low progesterone levels. The effects of these progesterone levels was tested in the uterus, blood, and ovaries of the cow.","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":"Progesterone level effects on primary metabolites in uterus, blood, and ovaries (Part 2:Uterine flush)","STUDY_SUMMARY":"In this experiment a hormonal protocol was applied to control follicle growth to yield larger or smaller preovulatory follicle and CLs and consequently different circulating Progesterone (P4) concentrations during early diestrus. The two different animal's group are: high or low progesterone levels. The effects of these progesterone levels was tested in the uterus of the cow.","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":"1","TOTAL_SUBJECTS":"60"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Bos taurus"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"81",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"82",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"83",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"84",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"85",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"86",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"87",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"88",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"89",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"90",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"131",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"132",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"133",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"134",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"135",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"136",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"137",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"138",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"139",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"140",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"171",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"172",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"173",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"174",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"175",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"176",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"177",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"178",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"179",
"Factors":{"Organ":"Flush"}
},
{
"Subject ID":"-",
"Sample ID":"180",
"Factors":{"Organ":"Flush"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Uterine flushing: uterus were flushed postmortem with isotonic saline solution and kept at 80ºC. There was no inactivation or attenuation because samples are not biohazard.","COLLECTION_PROTOCOL_FILENAME":"StudyDesign-MarioBinelli-101414.pdf","SAMPLE_TYPE":"uterine flushing"},

"TREATMENT":{"TREATMENT_SUMMARY":"There was no specific treatment. A hormonal protocol was applied to control follicle growth to yield larger or smaller preovulatory follicle and CLs and consequently different circulating Progesterone (P4) concentrations during early diestrus. The two different animal's group are: high or low progesterone levels.","TREATMENT_PROTOCOL_FILENAME":"StudyDesign-MarioBinelli-101414.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"SOP Extraction of Mammalian Tissue Samples.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Unspecified","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) 1.7um Pre-Column","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","COLUMN_PRESSURE":"450-850 bar","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"1.67 uL","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":"Isopropanol","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",

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(d38:0)","identifier":"6.55_761.65","m/z":"761.6497","RT":"6.549","Adducts":"[M+H]+","InChI key":"C43H89N2O6P","Molecular formula":""},{"Metabolite":"SM (d38:1)","identifier":"6.30_759.63","m/z":"759.6336","RT":"6.298","Adducts":"[M+H]+","InChI key":"C43H87N2O6P","Molecular formula":"AADLTHQNYQJHQV-SVLGDMRNSA-N"},{"Metabolite":"SM (d40:0)","identifier":"7.22_789.68","m/z":"789.6826","RT":"7.223","Adducts":"[M+H]+","InChI key":"C45H93N2O6P","Molecular formula":""},{"Metabolite":"SM (d40:1)","identifier":"7.00_787.67_6.99_809.65","m/z":"787.6679_809.6500","RT":"6.994","Adducts":"[M+H]+","InChI key":"C45H91N2O6P","Molecular formula":"FJJANLYCZUNFSE-QVMKKYBKSA-N"},{"Metabolite":"SM (d41:1)","identifier":"7.33_801.68","m/z":"801.6835","RT":"7.333","Adducts":"[M+H]+","InChI key":"C46H93N2O6P","Molecular formula":"SXZWBNWTCVLZJN-ZIHSGIAZSA-N"},{"Metabolite":"SM (d42:0)","identifier":"7.83_817.71","m/z":"817.7117","RT":"7.827","Adducts":"[M+H]+","InChI key":"C47H97N2O6P","Molecular 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(50:0)","identifier":"11.44_857.76_11.46_852.80","m/z":"857.7554_852.7986","RT":"11.454","Adducts":"[M+Na]+_[M+NH4]+","InChI key":"C53H102O6","Molecular formula":"QRJMBNGGFSPTQP-UHFFFAOYSA-N"},{"Metabolite":"TG (50:1)","identifier":"11.07_850.78","m/z":"850.7842","RT":"11.074","Adducts":"[M+NH4]+","InChI key":"C53H100O6","Molecular formula":"YHMDGPZOSGBQRH-YYSBDVFPSA-N"},{"Metabolite":"TG (51:1)","identifier":"11.25_864.80","m/z":"864.8003","RT":"11.253","Adducts":"[M+NH4]+","InChI key":"C54H102O6","Molecular formula":"OZAXLAGNPZMZAD-BOEMPQCLSA-N"},{"Metabolite":"TG (51:2)","identifier":"10.88_862.79_10.88_867.74","m/z":"862.7851_867.7399","RT":"10.8785","Adducts":"[M+NH4]+_[M+Na]+","InChI key":"C54H100O6","Molecular formula":"NSNSZGBCOIKUBU-SZOKBDNISA-N"},{"Metabolite":"TG (52:0)","identifier":"11.79_885.79_11.79_880.83","m/z":"885.7867_880.8277","RT":"11.7895","Adducts":"[M+Na]+_[M+NH4]+","InChI key":"C55H106O6","Molecular formula":"SDNYRTVJOFMYIW-OIVUAWODSA-N"},{"Metabolite":"TG (52:1)","identifier":"11.45_883.77_11.46_878.81","m/z":"883.7702_878.8127","RT":"11.4545","Adducts":"[M+Na]+_[M+NH4]+","InChI key":"C55H104O6","Molecular formula":"NPCZZYKITFKRQZ-RFBIWTDZSA-N"},{"Metabolite":"TG (52:5)","identifier":"10.02_875.71","m/z":"875.7124","RT":"10.018","Adducts":"[M+Na]+","InChI key":"C55H96O6","Molecular formula":"CQZAAIKPSLHIBC-KDJOUNIJSA-N"},{"Metabolite":"TG (53:1)","identifier":"11.67_897.78","m/z":"897.7806","RT":"11.672","Adducts":"[M+Na]+","InChI key":"C56H106O6","Molecular formula":"WWJIBIGWKGFVAQ-JNSYTQKUSA-N"},{"Metabolite":"TG (54:1)","identifier":"11.79_911.80_11.80_906.84","m/z":"911.8027_906.8434","RT":"11.794","Adducts":"[M+Na]+_[M+NH4]+","InChI key":"C57H108O6","Molecular formula":"YFFIQXNTTVSKJC-NZEOUKRFSA-N"},{"Metabolite":"TG (54:6)","identifier":"10.07_901.73","m/z":"901.7283","RT":"10.072","Adducts":"[M+Na]+","InChI key":"C57H98O6","Molecular formula":"HBOQXIRUPVQLKX-BBWANDEASA-N"},{"Metabolite":"TG (56:1)","identifier":"11.97_934.88","m/z":"934.8781","RT":"11.968","Adducts":"[M+NH4]+","InChI key":"C59H112O6","Molecular formula":"OCYFAHIHWCVZKS-FHSLLVMSSA-N"},{"Metabolite":"TG (58:1)","identifier":"12.07_962.91","m/z":"962.908","RT":"12.07","Adducts":"[M+NH4]+","InChI key":"C61H116O6","Molecular formula":"OWZMHFAFGQCCNI-FBXRAONGSA-N"},{"Metabolite":"TG (58:2)","identifier":"12.13_965.85","m/z":"965.8544","RT":"12.13","Adducts":"[M+Na]+","InChI key":"C61H114O6","Molecular formula":"GXWBCAVCOMAOHT-VMCJOIRWSA-N"},{"Metabolite":"CSH_posESI #002","identifier":"4.79_719.57","m/z":"719.5686","RT":"4.789","Adducts":"","InChI key":"","Molecular formula":""},{"Metabolite":"CSH_posESI #061","identifier":"5.40_748.54_5.39_770.52","m/z":"748.5357_770.5198","RT":"5.3955","Adducts":"","InChI key":"","Molecular formula":""},{"Metabolite":"CSH_posESI #103","identifier":"5.39_788.55_5.40_766.56","m/z":"777.55495","RT":"5.395","Adducts":"","InChI key":"","Molecular 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}