{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002439","ANALYSIS_ID":"AN003976","VERSION":"1","CREATED_ON":"January 12, 2023, 10:56 am"},

"PROJECT":{"PROJECT_TITLE":"Characterizing the intrauterine environment via untargeted metabolomics profiling of maternal blood collected during pregnancy (PETALS 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, ARCH 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":"Nutrition Research Institute, UNC-CH, 500 Laureate Way, Kannapolis, NC 28081","EMAIL":"yuanyli4@unc.edu","PHONE":"(984) 377-0693","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 PETALS 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"},

"STUDY":{"STUDY_TITLE":"Characterizing the intrauterine environment via untargeted metabolomics profiling of maternal blood collected during pregnancy (PETALS Cohort)","STUDY_TYPE":"Prospective Cohort Study","STUDY_SUMMARY":"PETALS is a prospective cohort of multi-racial/ethnic pregnant women recruited in early pregnancy at Kaiser Permanente Northern California which aimed to examine environmental factors in association with pregnancy, perinatal, and childhood outcomes. Please contact the cohort PI Assiamira Ferrara (Assiamira.Ferrara@kp.org) and Co-I Yeyi Zhu (yeyi.zhu@kp.org) for questions related to the subject characteristics and outcomes. This research was supported by the Environmental influences on Child Health Outcomes (ECHO) OIF 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. PETALS is an ECHO cohort which 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":"Kaiser Permanente","DEPARTMENT":"Division of Research","LAST_NAME":"Ferrara","FIRST_NAME":"Assiamira","ADDRESS":"2000 Broadway, Oakland, CA 94612","EMAIL":"assiamira.ferrara@kp.org","PHONE":"(510) 891-3588","TOTAL_SUBJECTS":"292","STUDY_COMMENTS":"HHEAR Project EM19-0009, ECHO Project EC0374"},

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"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_283"}
},
{
"Subject ID":"EM-NF3T0-S-00-11201",
"Sample ID":"PZFe_S_284",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_284"}
},
{
"Subject ID":"EM-RKXY7-S-00-11201",
"Sample ID":"PZFe_S_285",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_285"}
},
{
"Subject ID":"EM-9XWQ2-S-00-11201",
"Sample ID":"PZFe_S_286",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_286"}
},
{
"Subject ID":"EM-YS0M9-S-00-11201",
"Sample ID":"PZFe_S_287",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_287"}
},
{
"Subject ID":"EM-MQZ23-S-00-11201",
"Sample ID":"PZFe_S_288",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_288"}
},
{
"Subject ID":"EM-LGMV0-S-00-11201",
"Sample ID":"PZFe_S_289",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_289"}
},
{
"Subject ID":"EM-M2999-S-00-11201",
"Sample ID":"PZFe_S_290",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_290"}
},
{
"Subject ID":"EM-PKN41-S-00-11201",
"Sample ID":"PZFe_S_291",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_291"}
},
{
"Subject ID":"EM-6U391-S-00-11201",
"Sample ID":"PZFe_S_292",
"Factors":{"Sample Type":"Study Sample"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_S_292"}
},
{
"Subject ID":"EM-4Y147-QCSP-01-11201",
"Sample ID":"PZFe_SP_1",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_1"}
},
{
"Subject ID":"EM-S2S89-QCSP-02-11201",
"Sample ID":"PZFe_SP_2",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_2"}
},
{
"Subject ID":"EM-K5D02-QCSP-03-11201",
"Sample ID":"PZFe_SP_3",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_3"}
},
{
"Subject ID":"EM-BKAS9-QCSP-04-11201",
"Sample ID":"PZFe_SP_4",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_4"}
},
{
"Subject ID":"EM-SJJM9-QCSP-05-11201",
"Sample ID":"PZFe_SP_5",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_5"}
},
{
"Subject ID":"EM-9SAR3-QCSP-06-11201",
"Sample ID":"PZFe_SP_6",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_6"}
},
{
"Subject ID":"EM-6S2D1-QCSP-07-11201",
"Sample ID":"PZFe_SP_7",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_7"}
},
{
"Subject ID":"EM-MW3E7-QCSP-08-11201",
"Sample ID":"PZFe_SP_8",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_8"}
},
{
"Subject ID":"EM-U45N4-QCSP-09-11201",
"Sample ID":"PZFe_SP_9",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_9"}
},
{
"Subject ID":"EM-EC9V6-QCSP-10-11201",
"Sample ID":"PZFe_SP_10",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_10"}
},
{
"Subject ID":"EM-MSZA5-QCSP-11-11201",
"Sample ID":"PZFe_SP_11",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_11"}
},
{
"Subject ID":"EM-PBZX9-QCSP-12-11201",
"Sample ID":"PZFe_SP_12",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_12"}
},
{
"Subject ID":"EM-3N7Q2-QCSP-13-11201",
"Sample ID":"PZFe_SP_13",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_13"}
},
{
"Subject ID":"EM-NP2E2-QCSP-14-11201",
"Sample ID":"PZFe_SP_14",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_14"}
},
{
"Subject ID":"EM-7P177-QCSP-15-11201",
"Sample ID":"PZFe_SP_15",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_15"}
},
{
"Subject ID":"EM-9J7E1-QCSP-16-11201",
"Sample ID":"PZFe_SP_16",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_16"}
},
{
"Subject ID":"EM-PNEN5-QCSP-17-11201",
"Sample ID":"PZFe_SP_17",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_17"}
},
{
"Subject ID":"EM-NECX7-QCSP-18-11201",
"Sample ID":"PZFe_SP_18",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_18"}
},
{
"Subject ID":"EM-SSDL7-QCSP-19-11201",
"Sample ID":"PZFe_SP_19",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_19"}
},
{
"Subject ID":"EM-2Z5J4-QCSP-20-11201",
"Sample ID":"PZFe_SP_20",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_20"}
},
{
"Subject ID":"EM-A6WG1-QCSP-21-11201",
"Sample ID":"PZFe_SP_21",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_21"}
},
{
"Subject ID":"EM-PJ3D4-QCSP-22-11201",
"Sample ID":"PZFe_SP_22",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_22"}
},
{
"Subject ID":"EM-W5HJ9-QCSP-23-11201",
"Sample ID":"PZFe_SP_23",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_23"}
},
{
"Subject ID":"EM-STYH3-QCSP-24-11201",
"Sample ID":"PZFe_SP_24",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_24"}
},
{
"Subject ID":"EM-JPDG4-QCSP-25-11201",
"Sample ID":"PZFe_SP_25",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_25"}
},
{
"Subject ID":"EM-CMS86-QCSP-26-11201",
"Sample ID":"PZFe_SP_26",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_26"}
},
{
"Subject ID":"EM-7LM94-QCSP-27-11201",
"Sample ID":"PZFe_SP_27",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_27"}
},
{
"Subject ID":"EM-FAE83-QCSP-28-11201",
"Sample ID":"PZFe_SP_28",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_28"}
},
{
"Subject ID":"EM-8R7J4-QCSP-29-11201",
"Sample ID":"PZFe_SP_29",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_29"}
},
{
"Subject ID":"EM-PW5A1-QCSP-30-11201",
"Sample ID":"PZFe_SP_30",
"Factors":{"Sample Type":"Study Pool"},
"Additional sample data":{"RAW_FILE_NAME":"PZFe_SP_30"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"NA","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Serum samples (600 µL per tube) were shipped from Kaiser Permanente Mosswood Research Lab 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":"4℃","EXTRACTION_METHOD":"Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"Water-Methanol (95:5, v/v)","SAMPLE_SPIKING":"Tryptophan-d5 stock solution at 500 ng/mL"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Reverse phase","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)","SOLVENT_A":"Water with 0.1% Formic Acid","SOLVENT_B":"Methanol with 0.1% Formic Acid","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","COLUMN_TEMPERATURE":"50 oC","COLUMN_PRESSURE":"6000-10000","INJECTION_TEMPERATURE":"8oC"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Sumner Lab, UNC-CH","DETECTOR_TYPE":"Orbitrap","SOFTWARE_VERSION":"Xcalibur 4.1.31.9","ACQUISITION_DATE":"11/12/22-11/18/22","DATA_FORMAT":"Profile"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF-X Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data acquisition; Progenesis QI 2.4 for data preprocessing","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","FRAGMENT_VOLTAGE":"ES+","FRAGMENTATION_METHOD":"CID","ION_SPRAY_VOLTAGE":"3.5kV","IONIZATION":"ES+","MASS_ACCURACY":"5 ppm","DATAFORMAT":"Profile","DESOLVATION_GAS_FLOW":"55","DESOLVATION_TEMPERATURE":"400 oC","MS_RESULTS_FILE":"ST002439_AN003976_Results.txt UNITS:m/z Has m/z:Yes Has RT:Yes RT units:Minutes"}

}