Summary of Study ST002866

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 PR001661. The data can be accessed directly via it's Project DOI: 10.21228/M80Q6D 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 IDST002866
Study TitleThe role of PFAS exposures in nonalcoholic fatty liver disease and hepatocellular carcinoma in the Multiethnic Cohort
Study SummaryFunding was approved by the NIH HHEAR Program (Study #2020-0500), and analysis was performed within the Mount Sinai HHEAR Laboratories (U2C ES030859 and U2CES026561). 2,952 plasma samples collected from the Multiethnic Cohort (MEC) were provided by the PI (Veronica Setiawan, PhD) and analyzed using liquid chromatography with high-resolution mass spectrometry (LC-HRMS) using a hybrid targeted and untargeted method that provides quantitation of known poly- and per-fluoroalkyl substances (PFAS), as well as untargeted detection of small molecules. Results were reported in terms of untargeted mass spectral signals (Level 5), identified small molecules (Level 1), and computational annotations (Level 3 or 4) according to the MSI Annotation Schemes
Institute
University of Southern California
Last NameVeronica
First NameSetiawan
AddressGenetic Epidemiology NRT 1502 1450 Biggy Street Health Sciences Campus Los Angeles
Emailvsetiawa@med.usc.edu
Phone+1 323 442 7806
Submit Date2023-09-03
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2025-01-02
Release Version1
Setiawan Veronica Setiawan Veronica
https://dx.doi.org/10.21228/M80Q6D
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001661
Project DOI:doi: 10.21228/M80Q6D
Project Title:Untargeted analysis of plasma
Project Summary:Untargeted analysis of plasma from lean individuals and obese subjects at the time of bariatric surgery, with some repeat measures.
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
Funding Source:Support was provided by the Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc.: O’Brien B (U24 ES026539), and the Human Health Exposure Analysis Data Center: Icahn School of Medicine at Mount Sinai: Teitelbaum S (U2CES026555)

Subject:

Subject ID:SU002978
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 type Batch
SA309504Water_blank_01_3Blank_H2O 1
SA309505Water_blank_01_4Blank_H2O 1
SA309506Water_blank_01_2Blank_H2O 1
SA309507Water_blank_10_1Blank_H2O 10
SA309508Water_blank_10_3Blank_H2O 10
SA309509Water_blank_10_2Blank_H2O 10
SA309510Water_blank_10_4Blank_H2O 10
SA309511Water_blank_11_2Blank_H2O 11
SA309512Water_blank_11_3Blank_H2O 11
SA309513Water_blank_11_1Blank_H2O 11
SA309514Water_blank_11_4Blank_H2O 11
SA309515Water_blank_12_1Blank_H2O 12
SA309516Water_blank_12_4Blank_H2O 12
SA309517Water_blank_12_2Blank_H2O 12
SA309518Water_blank_12_3Blank_H2O 12
SA309519Water_blank_12_5Blank_H2O 12
SA309520Water_blank_13_5Blank_H2O 13
SA309521Water_blank_13_3Blank_H2O 13
SA309522Water_blank_13_2Blank_H2O 13
SA309523Water_blank_13_4Blank_H2O 13
SA309524Water_blank_13_1Blank_H2O 13
SA309525Water_blank_14_4Blank_H2O 14
SA309526Water_blank_14_2Blank_H2O 14
SA309527Water_blank_14_3Blank_H2O 14
SA309528Water_blank_14_1Blank_H2O 14
SA309529Water_blank_15_4Blank_H2O 15
SA309530Water_blank_15_3Blank_H2O 15
SA309531Water_blank_15_2Blank_H2O 15
SA309532Water_blank_15_1Blank_H2O 15
SA309533Water_blank_16_5Blank_H2O 16
SA309534Water_blank_16_4Blank_H2O 16
SA309535Water_blank_16_2Blank_H2O 16
SA309536Water_blank_16_3Blank_H2O 16
SA309537Water_blank_16_1Blank_H2O 16
SA309538Water_blank_17_3Blank_H2O 17
SA309539Water_blank_17_2Blank_H2O 17
SA309540Water_blank_17_4Blank_H2O 17
SA309541Water_blank_17_5Blank_H2O 17
SA309542Water_blank_17_1Blank_H2O 17
SA309543Water_blank_18_4Blank_H2O 18
SA309544Water_blank_18_2Blank_H2O 18
SA309545Water_blank_18_1Blank_H2O 18
SA309546Water_blank_18_3Blank_H2O 18
SA309547Water_blank_19_3Blank_H2O 19
SA309548Water_blank_19_4Blank_H2O 19
SA309549Water_blank_19_1Blank_H2O 19
SA309550Water_blank_19_2Blank_H2O 19
SA309551Water_blank_02_2Blank_H2O 2
SA309552Water_blank_02_4Blank_H2O 2
SA309553Water_blank_02_3Blank_H2O 2
SA309554Water_blank_02_1Blank_H2O 2
SA309555Water_blank_02_5Blank_H2O 2
SA309556Water_blank_20_2Blank_H2O 20
SA309557Water_blank_20_5Blank_H2O 20
SA309558Water_blank_20_4Blank_H2O 20
SA309559Water_blank_20_1Blank_H2O 20
SA309560Water_blank_20_3Blank_H2O 20
SA309561Water_blank_21_2Blank_H2O 21
SA309562Water_blank_21_4Blank_H2O 21
SA309563Water_blank_21_5Blank_H2O 21
SA309564Water_blank_21_1Blank_H2O 21
SA309565Water_blank_21_3Blank_H2O 21
SA309566Water_blank_22_3Blank_H2O 22
SA309567Water_blank_22_4Blank_H2O 22
SA309568Water_blank_22_2Blank_H2O 22
SA309569Water_blank_22_1Blank_H2O 22
SA309570Water_blank_23_2Blank_H2O 23
SA309571Water_blank_23_1Blank_H2O 23
SA309572Water_blank_23_4Blank_H2O 23
SA309573Water_blank_23_3Blank_H2O 23
SA309574Water_blank_24_4Blank_H2O 24
SA309575Water_blank_24_3Blank_H2O 24
SA309576Water_blank_24_2Blank_H2O 24
SA309577Water_blank_24_1Blank_H2O 24
SA309578Water_blank_25_3Blank_H2O 25
SA309579Water_blank_25_4Blank_H2O 25
SA309580Water_blank_25_2Blank_H2O 25
SA309581Water_blank_25_1Blank_H2O 25
SA309582Water_blank_26_2Blank_H2O 26
SA309583Water_blank_26_5Blank_H2O 26
SA309584Water_blank_26_3Blank_H2O 26
SA309585Water_blank_26_4Blank_H2O 26
SA309586Water_blank_26_1Blank_H2O 26
SA309587Water_blank_27_3Blank_H2O 27
SA309588Water_blank_27_1Blank_H2O 27
SA309589Water_blank_27_4Blank_H2O 27
SA309590Water_blank_27_2Blank_H2O 27
SA309591Water_blank_28_2Blank_H2O 28
SA309592Water_blank_28_4Blank_H2O 28
SA309593Water_blank_28_1Blank_H2O 28
SA309594Water_blank_28_3Blank_H2O 28
SA309595Water_blank_29_3Blank_H2O 29
SA309596Water_blank_29_4Blank_H2O 29
SA309597Water_blank_29_5Blank_H2O 29
SA309598Water_blank_29_2Blank_H2O 29
SA309599Water_blank_29_1Blank_H2O 29
SA309600Water_blank_03_4Blank_H2O 3
SA309601Water_blank_03_3Blank_H2O 3
SA309602Water_blank_03_1Blank_H2O 3
SA309603Water_blank_03_2Blank_H2O 3
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Collection:

Collection ID:CO002971
Collection Summary:plasma EDTA
Sample Type:Blood (plasma)

Treatment:

Treatment ID:TR002987
Treatment Summary:none

Sample Preparation:

Sampleprep ID:SP002984
Sampleprep Summary:Plasma samples were analyzed in batches of 84 study samples with 12 QA/QC using automated liquid handling (Opentron OT2) and 96-well plates. Prior to analysis, samples were thawed at 4ºC and 40 µL plasma was extracted by adding 120 µL ice-cold acetonitrile containing 13C labeled PFAS and metabolites internal standards (ISs). Treated samples were then vortexed for 10 seconds, equilibrated on ice for 30 min, and then centrifuged for 45 min at 4,500×g, at 4ºC. The supernatant (40 µL) was transferred to second 96-well plate containing 80 µL water and placed in a refrigerated autosampler until analysis.

Combined analysis:

Analysis ID AN004698 AN004699
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Vanquish Thermo Vanquish
Column Higgins Analytical TARGA C18 (50 x 2.1mm,5um) Higgins Analytical TARGA C18 (50 x 2.1mm,5um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF-X Orbitrap Thermo Q Exactive HF-X Orbitrap
Ion Mode POSITIVE NEGATIVE
Units abundance abundance

Chromatography:

Chromatography ID:CH003538
Chromatography Summary:RPN
Instrument Name:Thermo Vanquish
Column Name:Higgins Analytical TARGA C18 (50 x 2.1mm,5um)
Column Temperature:30
Flow Gradient:82.50% of B until 1.50min; then from 82.50% to 2.50% of B until 5.00 min; ending with 2.50% of B at 7.50 min.
Flow Rate:0.400 to 0.500 mL/min
Solvent A:97.5% acetonitrile/2.5% water
Solvent B:100% water; 10mM ammonium acetate
Chromatography Type:Reversed phase
  
Chromatography ID:CH003539
Chromatography Summary:RPP
Instrument Name:Thermo Vanquish
Column Name:Higgins Analytical TARGA C18 (50 x 2.1mm,5um)
Column Temperature:30
Flow Gradient:85% of B until 1.50min; then from 85% to 5% of B until 5.00 min; ending with 5% of B at 7.50 min.
Flow Rate:0.400 to 0.500 mL/min
Solvent A:100% acetonitrile; 0.1% formic acid
Solvent B:100% water; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS004445
Analysis ID:AN004698
Instrument Name:Thermo Q Exactive HF-X Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Mass spectral data was collected using positive mode over the scan range 85-1275 at 120,000 (FWHM) resolution.
Ion Mode:POSITIVE
  
MS ID:MS004446
Analysis ID:AN004699
Instrument Name:Thermo Q Exactive HF-X Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Mass spectral data was collected using negative mode over the scan range 85-1275 at 120,000 (FWHM) resolution.
Ion Mode:NEGATIVE
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