Summary of Study ST003408

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 PR002110. The data can be accessed directly via it's Project DOI: 10.21228/M8W53T 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 IDST003408
Study TitleUntargeted analysis of urine samples in a Longitudinal analysis of environmental exposures in pregnancy.
Study SummaryUntargeted analysis of urine samples to measure environmental toxins (inclusive of PAH analytes and untargeted panels which include phenols, parabens, flame retardants, and pesticides) in a longitudinal cohort to determine how levels vary in pregnancy.
Institute
Baylor College of Medicine
Last NameSuter
First NameMelissa
Address6651 Main Street Suite F420 - Houston, TX 77030
Emailmasuter@bcm.edu
Phone713-798-6087
Submit Date2024-08-01
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-08-20
Release Version1
Melissa Suter Melissa Suter
https://dx.doi.org/10.21228/M8W53T
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002110
Project DOI:doi: 10.21228/M8W53T
Project Title:Untargeted analysis of urine samples in a Longitudinal analysis of environmental exposures in pregnancy.
Project Summary:Untargeted analysis of urine samples to measure environmental toxins (inclusive of PAH analytes and untargeted panels which include phenols, parabens, flame retardants, and pesticides) in a longitudinal cohort to determine how levels vary in pregnancy.
Institute:Icahn School of Medicine at Mount Sinai
Last Name:Petrick
First Name:Lauren
Address:1428 Madison Avenue, Atran Building
Email:lauren.petrick@mssm.edu
Phone:9739976141

Subject:

Subject ID:SU003533
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Species Group:Mammals

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Batch
SA372093matrix_23S007_B1_002Matrix 1
SA372094matrix_23S007_01_B1_001Matrix 1
SA372095matrix_23S007_B10_001Matrix 10
SA372096matrix_23S007_B10_002Matrix 10
SA372097matrix_23S007_B11_001Matrix 11
SA372098matrix_23S007_B11_002Matrix 11
SA372099matrix_23S007_B12_001Matrix 12
SA372100matrix_23S007_B12_002Matrix 12
SA372101matrix_23S007_B13_001Matrix 13
SA372102matrix_23S007_B13_002Matrix 13
SA372103matrix_23S007_B2_002Matrix 2
SA372104matrix_23S007_B2_001Matrix 2
SA372105matrix_23S007_B3_001Matrix 3
SA372106matrix_23S007_B3_002Matrix 3
SA372107matrix_23S007_B4_002Matrix 4
SA372108matrix_23S007_B4_001Matrix 4
SA372109matrix_23S007_B5_001Matrix 5
SA372110matrix_23S007_B5_002Matrix 5
SA372111matrix_23S007_B6_001Matrix 6
SA372112matrix_23S007_B6_002Matrix 6
SA372113matrix_23S007_B7_001Matrix 7
SA372114matrix_23S007_B7_002Matrix 7
SA372115matrix_23S007_B8_002Matrix 8
SA372116matrix_23S007_B8_001Matrix 8
SA372117matrix_23S007_B9_001Matrix 9
SA372118matrix_23S007_B9_002Matrix 9
SA372119H-2KX41-U-00_0063Urine 1
SA372120HHEAR2_23S007_B1_005Urine 1
SA372121H-2LMK9-U-00_0062Urine 1
SA372122H-2LDF9-U-00_0064Urine 1
SA372123H-2LB41-U-00_0065Urine 1
SA372124H-2KY32-U-00_0061Urine 1
SA372125LQC_23S007_B1_007Urine 1
SA372126H-2LK26-U-00_0067Urine 1
SA372127H-2KZ23-U-00_0006Urine 1
SA372128H-2LF39-U-00_0057Urine 1
SA372129H-2KVJ4-U-00_0060Urine 1
SA372130H-2KYJ1-U-00_0059Urine 1
SA372131H-2LBJ2-U-00_0058Urine 1
SA372132H-2L197-U-00_0069Urine 1
SA372133H-2LPH3-U-00_0056Urine 1
SA372134H-2LP54-U-00_0055Urine 1
SA372135H-2L916-U-00_0054Urine 1
SA372136H-2LDD3-U-00_0053Urine 1
SA372137H-2L866-U-00_0052Urine 1
SA372138H-2LM99-U-00_0068Urine 1
SA372139H-2L1G6-U-00_0003Urine 1
SA372140H-2LFL4-U-00_0070Urine 1
SA372141HHEAR2_23S007_B1_001Urine 1
SA372142NIST3672_B1_002Urine 1
SA372143NIST3672_B1_001Urine 1
SA372144HHEAR2_23S007_B1_002Urine 1
SA372145H-2L2S8-U-00_0007Urine 1
SA372146HHEAR1_23S007_B1_001Urine 1
SA372147NIST3672_B1_003Urine 1
SA372148NIST3673_B1_001Urine 1
SA372149HHEAR1_23S007_B1_002Urine 1
SA372150NIST3673_B1_002Urine 1
SA372151H-2LDY7-U-00_0005Urine 1
SA372152NIST3673_B1_003Urine 1
SA372153LQC_23S007_B1_001Urine 1
SA372154H-2LAS3-U-00_0001Urine 1
SA372155H-2LEN0-U-00_0002Urine 1
SA372156LQC_23S007_B1_006Urine 1
SA372157H-2KYY8-U-00_0004Urine 1
SA372158CHEAR_23S007_B1_001Urine 1
SA372159LQC_23S007_B1_008Urine 1
SA372160H-2L6M8-U-00_0051Urine 1
SA372161H-2LMF0-U-00_0066Urine 1
SA372162HHEAR1_23S007_B1_005Urine 1
SA372163H-2KZR3-U-00_0018Urine 1
SA372164H-2LBM6-U-00_0026Urine 1
SA372165H-2LB74-U-00_0025Urine 1
SA372166H-2LPN9-U-00_0024Urine 1
SA372167H-2LGN8-U-00_0023Urine 1
SA372168H-2KXR5-U-00_0022Urine 1
SA372169H-2L3F6-U-00_0021Urine 1
SA372170LQC_23S007_B1_003Urine 1
SA372171HHEAR2_23S007_B1_003Urine 1
SA372172H-2LHY3-U-00_0020Urine 1
SA372173H-2KZH5-U-00_0019Urine 1
SA372174H-2LGF6-U-00_0017Urine 1
SA372175H-2KXT0-U-00_0028Urine 1
SA372176H-2L098-U-00_0016Urine 1
SA372177H-2LEQ4-U-00_0015Urine 1
SA372178H-2KV50-U-00_0014Urine 1
SA372179H-2L668-U-00_0050Urine 1
SA372180H-2KYX0-U-00_0012Urine 1
SA372181H-2LHD9-U-00_0011Urine 1
SA372182LQC_23S007_B1_002Urine 1
SA372183HHEAR1_23S007_B1_003Urine 1
SA372184H-2LG38-U-00_0010Urine 1
SA372185H-2KVF3-U-00_0009Urine 1
SA372186H-2LKQ8-U-00_0008Urine 1
SA372187H-2L7A3-U-00_0027Urine 1
SA372188H-2L3X6-U-00_0013Urine 1
SA372189H-2KW91-U-00_0029Urine 1
SA372190H-2LK34-U-00_0040Urine 1
SA372191H-2KV27-U-00_0049Urine 1
SA372192H-2L0A0-U-00_0030Urine 1
Showing page 1 of 13     Results:    1  2  3  4  5  Next  Last     Showing results 1 to 100 of 1275

Collection:

Collection ID:CO003526
Collection Summary:Subjects were interviewed and samples collected during clinic visits for routine prenatal care, at delivery and at their post-partum clinic visit
Sample Type:Urine

Treatment:

Treatment ID:TR003542
Treatment Summary:No treatment.

Sample Preparation:

Sampleprep ID:SP003540
Sampleprep Summary:Urine preparation: Specific gravity (SPG) measurements were made first, to determine dilution factors required for pre-acquisition normalization. Specific gravity and dilution factors are included in the “HHEAR_Meta_HHEARProject_2021-00987_Suter_ALL.xlsx”. Urine samples were thawed at 4°C and vortexed. The sample was diluted with water down to a specific gravity of 1.002 for pre-acquisition normalization using a liquid handler. A 30 μL aliquot of the diluted sample was prepared for metabolomics analysis. In addition, a 15 μL aliquot from each diluted sample was combined for use as a pooled quality control sample and re-aliquoted into 30 μL aliquots. Samples were then returned to -80°C until analysis. Quality control samples including HHEAR QCs, NIST samples, and blanks (replacing urine with water) were treated the same. Sample extraction: Samples were extracted and analyzes in 13 batches. On the day of analysis, 70 μL of acetonitrile containing internal standards was added to each sample, incubated at 4°C for 30 min, and then centrifuged. 50 μL of the supernatant was transferred to a destination plate containing 50 μL of water, covered, vortexed, and place in the autosampler for analysis.

Combined analysis:

Analysis ID AN005592 AN005593
Chromatography ID CH004250 CH004251
MS ID MS005317 MS005318
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Vanquish Thermo Vanquish
Column Agilent ZORBAX RRHD Extend-C18 (50 x 2.1mm,1.8um) Agilent ZORBAX RRHD Extend-C18 (50 x 2.1mm,1.8um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Orbitrap Exploris 240 Thermo Orbitrap Exploris 240
Ion Mode POSITIVE NEGATIVE
Units AU AU

Chromatography:

Chromatography ID:CH004250
Chromatography Summary:LC-MS / RPP
Instrument Name:Thermo Vanquish
Column Name:Agilent ZORBAX RRHD Extend-C18 (50 x 2.1mm,1.8um)
Column Temperature:55
Flow Gradient:5%B to 30% B in 0.5min, then to 98%B in 4 min and maintained for 4 min at 98%B
Flow Rate:0.5mL/Min
Solvent A:100% Water; 0.2% acetic acid
Solvent B:100% Methanol; 0.2% acetic acid
Chromatography Type:Reversed phase
  
Chromatography ID:CH004251
Chromatography Summary:LC-MS / RPN
Instrument Name:Thermo Vanquish
Column Name:Agilent ZORBAX RRHD Extend-C18 (50 x 2.1mm,1.8um)
Column Temperature:55
Flow Gradient:5%B to 30% B in 0.5min, then to 98%B in 4 min and maintained for 4 min at 98%B
Flow Rate:0.5mL/min
Solvent A:100% Water; 0.2% acetic acid; 2mM Ammonium acetate.
Solvent B:100% Methanol; 0.2% acetic acid; 0.2mM Ammonium acetate.
Chromatography Type:Reversed phase

MS:

MS ID:MS005317
Analysis ID:AN005592
Instrument Name:Thermo Orbitrap Exploris 240
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The Orbitrap resolution was set to 120000 FWHM and the scan range was set to 85-1275.
Ion Mode:POSITIVE
  
MS ID:MS005318
Analysis ID:AN005593
Instrument Name:Thermo Orbitrap Exploris 240
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The Orbitrap resolution was set to 120000 FWHM and the scan range was set to 85-1275.
Ion Mode:NEGATIVE
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