Summary of Study ST000972

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 PR000665. The data can be accessed directly via it's Project DOI: 10.21228/M8QD6T 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 IDST000972
Study TitleHigh Resolution GC-MS Metabolomics of Non-Human Primate Serum
Study TypeNon-human Primate Serum
Study SummaryRationale: Metabolomics analyses using gas chromatography mass spectrometry (GC-MS) - based metabolomics are heavily impeded by the lack of high-resolution mass spectrometers and limited spectral libraries to complement the excellent chromatography that GC platforms offer, a challenge that is being addressed with the implementation of high resolution (HR) platforms such as GC-Orbitrap-MS. Methods: We used serum samples from a non-human primate (NHP), a baboon (Papio hamadryas), with suitable quality controls to quantify the chemical space using an advanced HR MS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a comparative approach, we also analyzed the same serum samples using a two-dimensional gas chromatography time-of-flight mass-spectrometer (2D GC-ToF-MS) for metabolite identification and quantification following established standard protocols. Results: Overall, the 2D GC-ToF-MS and GC-Orbitrap-MS analyses enabled identification and quantification of 555 total metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and S/R ratio of > 25. A common set of 30 metabolites with HMDB and KEGG IDs were quantified in the serum samples by both platforms where the 2D GC-ToF-MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and the GC-Orbitrap-MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Conclusions: Our study provides insights into the benefits and limitations of the use of a higher mass accuracy instrument for untargeted GC-MS-based metabolomics with multi-dimensional chromatography in future studies addressing clinical conditions or exposome studies.
Institute
Wake Forest School of Medicine
DepartmentCenter for Precision Medicine
LaboratoryMichael Olivier Laboratory
Last NameMisra
First NameBiswapriya
AddressNRC Building, Medical Center Boulevard
Emailbmisra@wakehealth.edu
Phone3522156040
Submit Date2018-05-16
Total Subjects1
Num Males1
Study CommentsNA
PublicationsHigh Resolution GC/MS Metabolomics of Non‐Human Primate Serum: Biswapriya B. Misra, Ekong Bassey, Andrew C. Bishop, David T. Kusel, Laura A. Cox,Michael Olivier; Rapid Communications in Mass Spectrometry, DOI: https://doi.org/10.1002/rcm.8197
Raw Data AvailableYes
Raw Data File Type(s)cdf
Analysis Type DetailGC-MS
Release Date2018-05-30
Release Version1
Release CommentsEarlier release date was 2018-11-16, submitter requested to remove embargo on 30 May, 2018
Biswapriya Misra Biswapriya Misra
https://dx.doi.org/10.21228/M8QD6T
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN001592 AN001593
Analysis type MS MS
Chromatography type GC GC
Chromatography system Leco Pegasus 4D GC Thermo Trace 1310
Column Restek Rtx-5Sil (30m x 0.25mm,0.25um) Thermo Scientific TraceGOLD TG-5SILMS (30m x 0.25 mm,0.25um)
MS Type EI EI
MS instrument type GC x GC-TOF Orbitrap
MS instrument name Leco Pegasus 4D GCxGC TOF Thermo Q Exactive Orbitrap
Ion Mode POSITIVE POSITIVE
Units Arbitrary units Arbitrary units
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