Summary of Study ST001787

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 PR001136. The data can be accessed directly via it's Project DOI: 10.21228/M8VQ4D 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 ID	ST001787
Study Title	GC-XLE method development: dSPE and MgSO4 as clean-up for sample preparation
Study Type	Untargeted MS anlaysis
Study Summary	Compared to using dispersive SPE (dSPE) based on the QuEChERS procedure, we found similar reproducibility using high purity MgSO4 to analyze standard reference material (SRM) of human serum and human plasma samples and slightly higher recovery of targeted chemicals using MgSO4. To avoid contamination by environmental chemicals in solvents and reagents used for QuEChERS, we chose to use high purity MgSO4 to remove water-soluble interferences.
Institute	Emory University
Department	Medicine, Pulmonary
Laboratory	Dean Jones
Last Name	Hu
First Name	Xin
Address	Emory University Whitehead building (Rm 225), 615 Michael Street
Email	xin.hu2@emory.edu
Phone	4047275091
Submit Date	2021-05-04
Raw Data Available	Yes
Raw Data File Type(s)	mzXML
Analysis Type Detail	GC-MS
Release Date	2021-05-21
Release Version	1

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Treatment:

Treatment ID:	TR001877
Treatment Summary:	For pooled plasma or SRM1958, 50 µL formic acid (Emprove® Essential DAC, Sigma-Aldrich) was added to 200 µL plasma/SRM aliquots and immediately followed by addition of 200 µL hexane – ethyl acetate (2:1 v/v, ≥99% pure, Sigma-Aldrich) containing the internal standards (final concentration: 1 ng/mL). The sample mixture was shaken vigorously on ice using multi-tube vortexer (VWR VX-2500) for 1 h and centrifuged at 1000 g, 4 °C for 10 min. The sample mixture was chilled during entire extraction procedure. The organic supernatant was transferred to a new tube with 25 mg MgSO4 (≥99.99% pure, Sigma-Aldrich), or dSPE (Restek Catalog 26125) for testing of QuEChERS based procedure, and vortexed vigorously to remove water. After 10 min centrifugation at 1000 g, 80 µL of the final supernatant was spiked with instrumental internal standards (final concentration: 1 ng/mL) for analysis.

Treatment ID:

TR001877

Treatment Summary:

For pooled plasma or SRM1958, 50 µL formic acid (Emprove® Essential DAC, Sigma-Aldrich) was added to 200 µL plasma/SRM aliquots and immediately followed by addition of 200 µL hexane – ethyl acetate (2:1 v/v, ≥99% pure, Sigma-Aldrich) containing the internal standards (final concentration: 1 ng/mL). The sample mixture was shaken vigorously on ice using multi-tube vortexer (VWR VX-2500) for 1 h and centrifuged at 1000 g, 4 °C for 10 min. The sample mixture was chilled during entire extraction procedure. The organic supernatant was transferred to a new tube with 25 mg MgSO4 (≥99.99% pure, Sigma-Aldrich), or dSPE (Restek Catalog 26125) for testing of QuEChERS based procedure, and vortexed vigorously to remove water. After 10 min centrifugation at 1000 g, 80 µL of the final supernatant was spiked with instrumental internal standards (final concentration: 1 ng/mL) for analysis.