Summary of Study ST001715
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 PR001099. The data can be accessed directly via it's Project DOI: 10.21228/M8N97J 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.
Study ID | ST001715 |
Study Title | Large-scale enzyme-based xenobiotic identification for exposomics |
Study Type | Xenobiotic Metabolism |
Study Summary | Exposomics methods are limited by low abundance of xenobiotic metabolites and lack of authentic standards, which precludes identification using solely mass spectrometry-based criteria. Here, we validate a method for enzymatic generation of xenobiotic metabolites for use with high-resolution mass spectrometry for chemical identification. Generated xenobiotic metabolites were used to confirm identities of respective metabolites in mice and human samples based upon accurate mass, retention time, and co-occurrence with related xenobiotic metabolites. The data shared here are high-resolution Orbitrap MS data for S9 incubations of 140 xenobiotic compounds with 0 and 24 hour time points for all reactions. |
Institute | Emory University |
Department | Medicine |
Laboratory | Clinical Biomarkers Laboratory (Dean Jones, Ph.D PI) |
Last Name | Liu |
First Name | Ken |
Address | 615 Michael Street, Suite 225 |
hkliu@emory.edu | |
Phone | 4047275984 |
Submit Date | 2021-02-21 |
Study Comments | NIEHS_U2C_140XenobioticReactions |
Publications | https://assets.researchsquare.com/files/rs-77801/v1/7113b554-60b2-4a82-a93f-42e007637a00.pdf preprint |
Raw Data Available | Yes |
Raw Data File Type(s) | mzXML |
Analysis Type Detail | LC-MS |
Release Date | 2021-06-01 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Treatment:
Treatment ID: | TR001805 |
Treatment Summary: | Xenobiotic precursors were incubated with pooled human liver S9 fractions with an NADPH regenerating system and other required cofactors and collected at specified time points as described in the associated manuscript. |