Summary of Study ST001385

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR000949. The data can be accessed directly via it's Project DOI: 10.21228/M8198B This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST001385
Study TitleMicrobial and metabolic variations mediate the influence of childhood and adolescent EDC and trace element exposure on breast density.
Study SummaryOur CHEAR project builds on the longitudinal Growth and Obesity Cohort Study in Santiago, Chile, which includes approximately 500 girls born in 2002-2003. Participants were recruited in 2006 from public nursery schools of six counties in Santiago representative of low to middle income families. Children were included if they were singletons with birthweight between 2500 and 4500g, and had no physical, medical or endocrine diseases that may alter the growth and/or onset of puberty. Semi-annual collection of participant anthropometric and pubertal development data by trained dietitians has continued since 2009. The overall objectives of our CHEAR study are to assess how exposure to endocrine-disrupting chemicals (phenols and phthalates), and trace elements (metals) measured in urine samples at Tanner stages 1 and 4 and 1 year post-menarche influence the pubertal microbiome and metabolome, and the potential impact on adolescent breast composition measured by DXA at Tanner stage 4 and 2 years post-menarche.
Institute
Icahn School of Medicine at Mount Sinai
Last NamePetrick
First NameLauren
AddressDepartment of Environmental Medicine and Public Health, Atran Building 3rd floor, 101st St. between Madison and 5th Ave, New York, New York, 10029, USA
Emaillauren.petrick@mssm.edu
Phone212 241 7351
Submit Date2020-05-22
Raw Data AvailableYes
Raw Data File Type(s)d
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2022-03-01
Release Version1
Lauren Petrick Lauren Petrick
https://dx.doi.org/10.21228/M8198B
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002312 AN002313
Analysis type MS MS
Chromatography type Reversed phase HILIC
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II
Column Agilent ZORBAX RRHD Eclipse Plus C18 (50 x 2.1 mm,1.8 µm) SeQuant ZIC-HILIC (100 x 2.1mm,3.5um)
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Agilent 6550 QTOF Agilent 6545 QTOF
Ion Mode NEGATIVE POSITIVE
Units area area

MS:

MS ID:MS002155
Analysis ID:AN002312
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted metabolomics analysis: Parameters for peak picking grouping, and alignment with ‘XCMS’ included centwave feature detection, orbiwarp retention time correction, minimum fraction of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. Width of overlapping m/z slices (mzwid) = 0.003 or 0.015, and retention time window (bw) = 12.4 s and 22 s for ZHP and RPN, respectively. Minimum and maximum peak width were 5 and 20 s for reverse phase and 10 and 60 s for HILIC. The resulting peak table of retention times, m/z values, and peak areas was exported for data processing. Annotation of the untargeted data was facilitated by xMSannotator using the annotation scheme of Schymanski et al. (Environmental Science & Technology, 2014). Level 1 and 2 annotations were those that were confirmed with database dependent annotation. Lower confidence annotations (level 4) are those from the HMDB and T3DB online databases that were highly ranking by xMSannotator. Level 5 annotations were named by “mz_rt”. Metadata for the analysis including the batch and run order of each injection are provided in the Metafile, “Meta_2019_Michels2017_1977.csv”. We also included the Specific gravity measurements and dilution factor performed for each sample prior to data acquisition.
Ion Mode:NEGATIVE
  
MS ID:MS002156
Analysis ID:AN002313
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted metabolomics analysis: Parameters for peak picking grouping, and alignment with ‘XCMS’ included centwave feature detection, orbiwarp retention time correction, minimum fraction of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. Width of overlapping m/z slices (mzwid) = 0.003 or 0.015, and retention time window (bw) = 12.4 s and 22 s for ZHP and RPN, respectively. Minimum and maximum peak width were 5 and 20 s for reverse phase and 10 and 60 s for HILIC. The resulting peak table of retention times, m/z values, and peak areas was exported for data processing. Annotation of the untargeted data was facilitated by xMSannotator using the annotation scheme of Schymanski et al. (Environmental Science & Technology, 2014). Level 1 and 2 annotations were those that were confirmed with database dependent annotation. Lower confidence annotations (level 4) are those from the HMDB and T3DB online databases that were highly ranking by xMSannotator. Level 5 annotations were named by “mz_rt”. Metadata for the analysis including the batch and run order of each injection are provided in the Metafile, “Meta_2019_Michels2017_1977.csv”. We also included the Specific gravity measurements and dilution factor performed for each sample prior to data acquisition.
Ion Mode:POSITIVE
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