Summary of Study ST003561

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 PR002195. The data can be accessed directly via it's Project DOI: 10.21228/M8WN8J This work is supported by NIH grant, U2C- DK119886.

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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 IDST003561
Study TitleHigh serum pesticide levels are associated with increased odds of inflammatory bowel disease in a nested case-control study
Study SummaryWe conducted a pilot untargeted exposome-wide analysis in serum samples of military recruits with Crohn’s disease (CD), ulcerative colitis (UC), and matched controls collected 1-10 years prior to disease onset in the ‘Proteomic Evaluation and Discovery in an IBD Cohort of Tri-service Subjects’ (PREDICTS) study. We annotated 20 chemicals for statistical analysis.
Institute
Mount Sinai
Last NameAgrawal
First NameManasi
Address1 Gustave L. Levy Place
Emailmanasi.agrawal@mssm.edu
Phone212-241-8100
Submit Date2024-07-24
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailGC-MS
Release Date2025-07-24
Release Version1
Manasi Agrawal Manasi Agrawal
https://dx.doi.org/10.21228/M8WN8J
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002195
Project DOI:doi: 10.21228/M8WN8J
Project Title:Untargeted analysis of plasma in the USDoD in a study of Inflammatory Bowel Disease
Project Summary:Untargeted analysis of plasma from repeated samples from the USDoD in a study of Inflammatory Bowel Disease. Serum samples from 6-10 years, 4 years, 2 years, and within 1+- years of a Crohn's diagnoses, Ulcerative Colitis, or matched controls were analyzed with GC-HRMS. Associations between the chemical mixture and IBD were tested.
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:SU003690
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.x (Timepoint) Group
SA388919S343551171A Crohns disease
SA388920S150236263A Crohns disease
SA388921S582278302A Crohns disease
SA388922S236920462A Crohns disease
SA388923S348488847A Crohns disease
SA388924S436707201A Crohns disease
SA388925S222248201A Crohns disease
SA388926S159129226A Crohns disease
SA388927S374250049A Crohns disease
SA388928S836606631A Crohns disease
SA388929S606278077A Crohns disease
SA388930S180220369A Crohns disease
SA388931S382856340A Crohns disease
SA388932S556753028A Crohns disease
SA388933S422310697A Crohns disease
SA388934S011736014A Crohns disease
SA388935S290303798A Crohns disease
SA388936S162226017A Crohns disease
SA388937S320442452A Crohns disease
SA388938S934304776A Crohns disease
SA388939S116438506A Crohns disease
SA388940S829278117A Crohns disease
SA388941S335575247A Crohns disease
SA388942S967684703A Crohns disease
SA388943S183429865A Crohns disease
SA388944S097725934A Healthy controls
SA388945S385448023A Healthy controls
SA388946S878498117A Healthy controls
SA388947S700942989A Healthy controls
SA388948S904158314A Healthy controls
SA388949S475129276A Healthy controls
SA388950S860761076A Healthy controls
SA388951S838661440A Healthy controls
SA388952S565963933A Healthy controls
SA388953S286324106A Healthy controls
SA388954S613413652A Healthy controls
SA388955S558778240A Healthy controls
SA388956S661406076A Healthy controls
SA388957S201927200A Healthy controls
SA388958S271987467A Healthy controls
SA388959S886432388A Healthy controls
SA388960S627677646A Healthy controls
SA388961S220524748A Healthy controls
SA388962S003209706A Healthy controls
SA388963S288818396A Healthy controls
SA388964S745437386A Healthy controls
SA388965S283125342A Healthy controls
SA388966S221799209A Healthy controls
SA388967S395745111A Healthy controls
SA388968S986452683A Healthy controls
SA388969S966760177A Ulcerative colitis
SA388970S080053032A Ulcerative colitis
SA388971S346888126A Ulcerative colitis
SA388972S178487760A Ulcerative colitis
SA388973S259325243A Ulcerative colitis
SA388974S497250882A Ulcerative colitis
SA388975S907134282A Ulcerative colitis
SA388976S012177746A Ulcerative colitis
SA388977S077119237A Ulcerative colitis
SA388978S300095584A Ulcerative colitis
SA388979S855081283A Ulcerative colitis
SA388980S404333937A Ulcerative colitis
SA388981S378449463A Ulcerative colitis
SA388982S595801497A Ulcerative colitis
SA388983S313093387A Ulcerative colitis
SA388984S984821440A Ulcerative colitis
SA388985S246637693A Ulcerative colitis
SA388986S997549747A Ulcerative colitis
SA388987S016360985A Ulcerative colitis
SA388988S708228924A Ulcerative colitis
SA388989S803781635A Ulcerative colitis
SA388990S906663439A Ulcerative colitis
SA388991S750604344A Ulcerative colitis
SA388992S989902489A Ulcerative colitis
SA388993S191447907A Ulcerative colitis
SA388994S854444049B Crohns disease
SA388995S154352918B Crohns disease
SA388996S109581915B Crohns disease
SA388997S678154042B Crohns disease
SA388998S592810766B Crohns disease
SA388999S542024260B Crohns disease
SA389000S829919843B Crohns disease
SA389001S103062598B Crohns disease
SA389002S285760278B Crohns disease
SA389003S558926571B Crohns disease
SA389004S833697621B Crohns disease
SA389005S070264767B Crohns disease
SA389006S508519552B Crohns disease
SA389007S547561844B Crohns disease
SA389008S278051436B Crohns disease
SA389009S432753666B Crohns disease
SA389010S278089028B Crohns disease
SA389011S060943051B Crohns disease
SA389012S195209939B Crohns disease
SA389013S085643189B Crohns disease
SA389014S002341742B Crohns disease
SA389015S293615117B Crohns disease
SA389016S137113552B Crohns disease
SA389017S239455712B Crohns disease
SA389018S229534921B Crohns disease
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Collection:

Collection ID:CO003683
Collection Summary:serum. (No details of sample collection were available from the submitter).
Sample Type:Blood (serum)

Treatment:

Treatment ID:TR003699
Treatment Summary:repeated measures prior to diagnosis or matched controls. A=within 1 year B=2 years C=4 years D= 6- 10 years within a diagnosis

Sample Preparation:

Sampleprep ID:SP003697
Sampleprep Summary:In the allocated randomized order, frozen serum samples were thawed on ice and analyzed in 10 analytical batches. Each batch consisted of a set of QA/QC samples which included NIST standard reference material (NIST 1958), and procedural blanks. All samples were prepared for analysis in 5 mL glass tubes by adding 20 μL of MS grade formic acid to 180 μL of serum (or QA/QC sample or procedural blanks). Following this, 10 μL of a 4:1 Hexane:Ethyl acetate solution spiked with 10 ng/mL of internal standard was added as the extraction solvent and the samples vortexed. The samples were then centrifuged and the supernatant transferred to QuEChERS dSPE tubes containing MgS04 +PSA +C18 for water removal and extraction cleanup. The tubes were then vigorously agitated for 5 min, centrifuged, and the supernatant transferred to vials for GC-HRMS analysis.

Chromatography:

Chromatography ID:CH004444
Chromatography Summary:GC-HRMS
Instrument Name:Thermo Trace 1310
Column Name:Agilent DB5-MS (30m x 0.25mm, 0.25um)
Column Temperature:The oven temperature gradient was set at an initial temperature of 50°C held for 2.5 min, followed by ramp of 25°C/min to 180°C and held for 1 min and then to 250°C at a rate of 6°C/min and then raised to 320°C at a rate of 20°C/min and held for 6.5 minutes.
Flow Gradient:none
Flow Rate:none
Injection Temperature:60°C
Solvent A:none
Solvent B:none
Oven Temperature:The oven temperature gradient was set at an initial temperature of 50°C held for 2.5 min, followed by ramp of 25°C/min to 180°C and held for 1 min and then to 250°C at a rate of 6°C/min and then raised to 320°C at a rate of 20°C/min and held for 6.5 minutes.
Transferline Temperature:280°C
Chromatography Type:GC

Analysis:

Analysis ID:AN005852
Analysis Type:MS
Chromatography ID:CH004444
Num Factors:12
Num Metabolites:35
Units:abundance
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