Summary of Study ST003500

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 PR002146. The data can be accessed directly via it's Project DOI: 10.21228/M8783Z 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 IDST003500
Study TitleA UHPLC-MS/MS Method for Profiling of Urinary Mercapturic Acids using Positive Ion Mode
Study SummaryWe report the first application of a UHPLC-MS/MS method using positive ion mode detection for the unbiased characterization of mercapturic acids. The proposed method utilizes a neutral loss monitoring paradigm to monitor for two diagnostic fragmentation pathways for this class of compound. Using a cohort of 20 nonsmokers and 20 smokers, we detected 180 putative mercapturic acid signatures that exhibited a high degree of reproducibility from the complex urine metabolome background. Following a combination of multivariate and univariate statistics, we found 33 putative mercapturic acids associated with smoking status.
Institute
University of Minnesota
Last NameMurray
First NameKevin
Address2-210 CCRB, 2231 6th St SE, Minneapolis, MN 55455
Emailmurra668@umn.edu
Phone612-626-2182
Submit Date2024-08-01
Num Groups2
Total Subjects20
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-02-03
Release Version1
Kevin Murray Kevin Murray
https://dx.doi.org/10.21228/M8783Z
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Factors:

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

mb_sample_id local_sample_id Sample source Smoking Status
SA385691N149Urine Non-Smoker
SA385692N082Urine Non-Smoker
SA385693N215Urine Non-Smoker
SA385694N207Urine Non-Smoker
SA385695N194Urine Non-Smoker
SA385696N189Urine Non-Smoker
SA385697N167Urine Non-Smoker
SA385698N162Urine Non-Smoker
SA385699N161Urine Non-Smoker
SA385700N079Urine Non-Smoker
SA385701N142Urine Non-Smoker
SA385702N087Urine Non-Smoker
SA385703N140Urine Non-Smoker
SA385704N134Urine Non-Smoker
SA385705N133Urine Non-Smoker
SA385706N128Urine Non-Smoker
SA385707N096Urine Non-Smoker
SA385708N094Urine Non-Smoker
SA385709N088Urine Non-Smoker
SA385710N141Urine Non-Smoker
SA385711pool_10Urine QC
SA385712pool_09Urine QC
SA385713pool_08Urine QC
SA385714pool_07Urine QC
SA385715pool_06Urine QC
SA385716pool_05Urine QC
SA385717pool_03Urine QC
SA385718pool_02Urine QC
SA385719pool_01Urine QC
SA385720pool_04Urine QC
SA385721S147Urine Smoker
SA385722S190Urine Smoker
SA385723S171Urine Smoker
SA385724S163Urine Smoker
SA385725S157Urine Smoker
SA385726S156Urine Smoker
SA385727S152Urine Smoker
SA385728S151Urine Smoker
SA385729S150Urine Smoker
SA385730S144Urine Smoker
SA385731S146Urine Smoker
SA385732S145Urine Smoker
SA385733S138Urine Smoker
SA385734S136Urine Smoker
SA385735S135Urine Smoker
SA385736S132Urine Smoker
SA385737S131Urine Smoker
SA385738S117Urine Smoker
SA385739S102Urine Smoker
SA385740S110Urine Smoker
Showing results 1 to 50 of 50
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