{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002351","ANALYSIS_ID":"AN003837","VERSION":"1","CREATED_ON":"09-06-2023"},

"PROJECT":{"PROJECT_TITLE":"Characterizing the intrauterine environment via untargeted metabolomics profiling of maternal blood collected during pregnancy (Atlanta ECHO Cohort)","PROJECT_TYPE":"C18 Reversed-Phase Broad Spectrum Metabolomics","PROJECT_SUMMARY":"This project is funded by the NIH Environmental influences on Child Health Outcomes (ECHO) program, and uses data from five cohorts: Healthy Start, Project Viva, Atlanta ECHO, Paneth Cohort, and PETALS. This project will generate new untargeted metabolomics profiling data at two time-points in pregnancy for all women in order to identify trimester-specific metabolomics signatures and longitudinal metabolomics trajectories associated with offspring birth size; identify the contribution of maternal sociodemographic and perinatal characteristics to the metabolomics signatures.","INSTITUTE":"NC HHEAR Hub","DEPARTMENT":"Untargeted Analysis","LABORATORY":"Sumner Lab","LAST_NAME":"Li","FIRST_NAME":"Yuanyuan","ADDRESS":"500 Laureate Way, Kannapolis, NC 28081","EMAIL":"yuanyli4@unc.edu","PHONE":"9843770693","FUNDING_SOURCE":"This research was supported by the Environmental influences on Child Health Outcomes (ECHO) program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. The Atlanta ECHO Cohort is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375; ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382; North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857; Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539","DOI":"http://dx.doi.org/10.21228/M8HD93"},

"STUDY":{"STUDY_TITLE":"Characterizing the intrauterine environment via untargeted metabolomics profiling of maternal blood collected during pregnancy (Atlanta ECHO Cohort)","STUDY_TYPE":"Prospective Cohort Study","STUDY_SUMMARY":"The Atlanta ECHO Cohort is comprised of African American mother-child dyads who reside in the greater metropolitan Atlanta area. Enrollment begins during pregnancy from prenatal care clinics affiliated with two metro hospital systems. During pregnancy, data and biospecimens are obtained during an initial study visit (between 8-14 weeks gestation) and during a second study visit (between 24-30 weeks gestation). In the perinatal period, we collect the residual newborn blood spot (obtained from the neonate during the delivery hospitalization for state metabolic screening). Details of pregnancy complications, birth, and neonatal outcomes are ascertained via medical record abstraction. Children are then followed annually via in-person clinical assessments and maternal questionnaire data. This research was supported by the Environmental influences on Child Health Outcomes (ECHO) program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. The Atlanta ECHO Cohort is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375 ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382 North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857 Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539","INSTITUTE":"Emory University","DEPARTMENT":"School of Medicine, Department of Gynecology & Obstetrics; School of Public Health, Department of Environmental Health","LAST_NAME":"Dunlop","FIRST_NAME":"Anne","ADDRESS":"101 Woodruff Circle, Rm 4303 Woodruff Memorial Building, Atlanta, GA 30322","EMAIL":"amlang@emory.edu","PHONE":"(404) 712-8520","SUBMIT_DATE":"2022-11-14"},

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"Sample ID":"PZDu_S_65",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_65"}
},
{
"Subject ID":"EM-6QL53-S-01-10901",
"Sample ID":"PZDu_S_66",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_66"}
},
{
"Subject ID":"EM-G3NH9-S-01-10901",
"Sample ID":"PZDu_S_67",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_67"}
},
{
"Subject ID":"EM-R6201-S-01-10901",
"Sample ID":"PZDu_S_68",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_68"}
},
{
"Subject ID":"EM-QYTC0-S-01-10901",
"Sample ID":"PZDu_S_69",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_69"}
},
{
"Subject ID":"EM-3ZF29-S-01-10901",
"Sample ID":"PZDu_S_7",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_7"}
},
{
"Subject ID":"EM-CZMU9-S-01-10901",
"Sample ID":"PZDu_S_70",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_70"}
},
{
"Subject ID":"EM-5K4A5-S-01-10901",
"Sample ID":"PZDu_S_71",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_71"}
},
{
"Subject ID":"EM-VL308-S-01-10901",
"Sample ID":"PZDu_S_72",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_72"}
},
{
"Subject ID":"EM-K71T8-S-01-10901",
"Sample ID":"PZDu_S_73",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_73"}
},
{
"Subject ID":"EM-C1AN6-S-01-10901",
"Sample ID":"PZDu_S_74",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_74"}
},
{
"Subject ID":"EM-S0B98-S-01-10901",
"Sample ID":"PZDu_S_75",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_75"}
},
{
"Subject ID":"EM-HUM14-S-01-10901",
"Sample ID":"PZDu_S_76",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_76"}
},
{
"Subject ID":"EM-CMWB0-S-01-10901",
"Sample ID":"PZDu_S_77",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_77"}
},
{
"Subject ID":"EM-UBLP6-S-01-10901",
"Sample ID":"PZDu_S_78",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_78"}
},
{
"Subject ID":"EM-XKLH1-S-01-10901",
"Sample ID":"PZDu_S_79",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_79"}
},
{
"Subject ID":"EM-E9LA5-S-01-10901",
"Sample ID":"PZDu_S_8",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_8"}
},
{
"Subject ID":"EM-RSG71-S-01-10901",
"Sample ID":"PZDu_S_80",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_80"}
},
{
"Subject ID":"EM-ED9A9-S-01-10901",
"Sample ID":"PZDu_S_81",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_81"}
},
{
"Subject ID":"EM-D73T3-S-01-10901",
"Sample ID":"PZDu_S_82",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_82"}
},
{
"Subject ID":"EM-NJGM7-S-01-10901",
"Sample ID":"PZDu_S_83",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_83"}
},
{
"Subject ID":"EM-TQC78-S-01-10901",
"Sample ID":"PZDu_S_84",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_84"}
},
{
"Subject ID":"EM-8KTV4-S-01-10901",
"Sample ID":"PZDu_S_85",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_85"}
},
{
"Subject ID":"EM-Z1345-S-01-10901",
"Sample ID":"PZDu_S_86",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_86"}
},
{
"Subject ID":"EM-APZJ4-S-01-10901",
"Sample ID":"PZDu_S_87",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_87"}
},
{
"Subject ID":"EM-J17J8-S-01-10901",
"Sample ID":"PZDu_S_88",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_88"}
},
{
"Subject ID":"EM-ETW84-S-01-10901",
"Sample ID":"PZDu_S_89",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_89"}
},
{
"Subject ID":"EM-3CZQ2-S-01-10901",
"Sample ID":"PZDu_S_9",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_9"}
},
{
"Subject ID":"EM-KFFW8-S-01-10901",
"Sample ID":"PZDu_S_90",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_90"}
},
{
"Subject ID":"EM-45G28-S-01-10901",
"Sample ID":"PZDu_S_91",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_91"}
},
{
"Subject ID":"EM-323F2-S-01-10901",
"Sample ID":"PZDu_S_92",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_92"}
},
{
"Subject ID":"EM-TLF43-S-01-10901",
"Sample ID":"PZDu_S_94",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_94"}
},
{
"Subject ID":"EM-KNPW0-S-01-10901",
"Sample ID":"PZDu_S_95",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_95"}
},
{
"Subject ID":"EM-6PSQ7-S-01-10901",
"Sample ID":"PZDu_S_96",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_96"}
},
{
"Subject ID":"EM-74DH3-S-01-10901",
"Sample ID":"PZDu_S_97",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_97"}
},
{
"Subject ID":"EM-WX714-S-01-10901",
"Sample ID":"PZDu_S_98",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_98"}
},
{
"Subject ID":"EM-R60R9-S-01-10901",
"Sample ID":"PZDu_S_99",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZDu_S_99"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The Atlanta ECHO Cohort is comprised of African American mother-child dyads who reside in the greater metropolitan Atlanta area. Enrollment begins during pregnancy from prenatal care clinics affiliated with two metro hospital systems. During pregnancy, data and biospecimens are obtained during an initial study visit (between 8-14 weeks gestation) and during a second study visit (between 24-30 weeks gestation). In the perinatal period, we collect the residual newborn blood spot (obtained from the neonate during the delivery hospitalization for state metabolic screening). Details of pregnancy complications, birth, and neonatal outcomes are ascertained via medical record abstraction. Children are then followed annually via in-person clinical assessments and maternal questionnaire data.","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"N/A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Serum samples (100 µL per tube) were shipped from Emory University to the NC HHEAR Hub on dry ice. The NC HHEAR Hub thawed and transferred 50 µL of the study samples to a new set of tubes and used them for the analysis. An additional 10 µL was taken from the original study sample and transferred to another tube to make the total study pool for this project, and then distributed with 50 µL per aliquot, used as Quality control study pools (QC study pools) throughout the whole analysis. All sample aliquots (50 µL each) and QC study pools (50 µL each) were stored at -80° C until the day for sample preparation. HHEAR reference plasma (50 µL each) and NIST serum (909c) reference material (50 µL each) were provided by the NC HHEAR Hub. The LC-MS grade water (50 µL) was used as blank. Sample preparation was conducted by batch, and all samples (except blank) were thawed at 4°C overnight before the preparation. Samples, including study samples, study pool samples, HHEAR reference plasma, NIST reference serum, and blanks, were mixed with 400 µL methanol containing 500 ng/mL tryptophan-d5 as internal standard and vortexed by a multiple tube vortex mixer for 2 min at 5000 rpm at room temperature. All samples were centrifuged at 16,000 rcf for 10 min at 4°C. The supernatant (350 µL) was transferred into a pre-labeled 2.0 mL Lo-bind Eppendorf tube, dried by a SpeedVac overnight, and stored at -80° C. For immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was used to reconstitute the dried extracts. Samples were thoroughly mixed on a multiple tube vortex mixer for 10 min at 5000 rpm at room temperature and then centrifuged at 4°C for 10 min at 16,000 rcf. The supernatant was transferred to pre-labeled autosampler vials for data acquisition by LC-MS.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_STORAGE":"Described in summary"},

"CHROMATOGRAPHY":{"INSTRUMENT_NAME":"Thermo Scientific™ Vanquish™ UPHPLC","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,3um)","COLUMN_PRESSURE":"6000-10000 psi","COLUMN_TEMPERATURE":"50","FLOW_GRADIENT":"Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6. 22.00 0.4 99.0 1.0 5","FLOW_RATE":"0.4 ml/min","INJECTION_TEMPERATURE":"8","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% methanol; 0.1% formic acid","RANDOMIZATION_ORDER":"Randomized","CHROMATOGRAPHY_TYPE":"Reversed phase"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF-X Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","MS_COMMENTS":"Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data acquisition; Progenesis QI 2.4 for data preprocessing","ION_MODE":"POSITIVE","CAPILLARY_TEMPERATURE":"320 °C","CAPILLARY_VOLTAGE":"3.5 KV","COLLISION_ENERGY":"20-45, ramp","COLLISION_GAS":"N2","DRY_GAS_FLOW":"55","DRY_GAS_TEMP":"400°C","FRAGMENTATION_METHOD":"CID","DESOLVATION_GAS_FLOW":"55","MS_RESULTS_FILE":"ST002351_AN003837_Results.txt UNITS:Normalized intensity Has m/z:Yes Has RT:Yes RT units:Minutes"}

}