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.
Study ID | ST000972 |
Study Title | High Resolution GC-MS Metabolomics of Non-Human Primate Serum |
Study Type | Non-human Primate Serum |
Study Summary | Rationale: 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 |
Department | Center for Precision Medicine |
Laboratory | Michael Olivier Laboratory |
Last Name | Misra |
First Name | Biswapriya |
Address | NRC Building, Medical Center Boulevard |
bmisra@wakehealth.edu | |
Phone | 3522156040 |
Submit Date | 2018-05-16 |
Total Subjects | 1 |
Num Males | 1 |
Study Comments | NA |
Publications | High 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 Available | Yes |
Raw Data File Type(s) | cdf |
Analysis Type Detail | GC-MS |
Release Date | 2018-05-30 |
Release Version | 1 |
Release Comments | Earlier release date was 2018-11-16, submitter requested to remove embargo on 30 May, 2018 |
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Sample Preparation:
Sampleprep ID: | SP001018 |
Sampleprep Summary: | Aliquots of serum (30 µL) samples were subjected to sequential solvent extraction once each with 1 mL of acetonitrile: isopropanol: water (3:3:2) and 500 µL of acetonitrile: water (1:1) mixtures at 4 C.22 Adonitol and d4-succinic acid (both 5 µL from 10 mg/ml stock) were added to each aliquots as two internal standards prior to the extraction. The pooled extracts (~ 1500 µL) from the two steps were dried under vacuum at 4 C prior to chemical derivatization. Dummy extractions performed on blank tubes served as extraction blanks to account for background (extraction) noise and other sources of contamination. Six (S1, S2, S3, S6, S7, S8) samples were then sequentially derivatized with methoxyamine hydrochloride (MeOX) and 1% TMCS in N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) as described elsewhere.23,24 Steps involved addition of 10 μL of MeOX (20 mg mL-1) in pyridine incubated under shaking at 55 °C for 60 min followed by trimethylsilylation at 60 °C for 60 min after adding 90 μL MSTFA. |
Processing Method: | Fiehn et al., 2008 |
Processing Storage Conditions: | On ice |
Extraction Method: | Fiehn et al., 2008 |
Extract Enrichment: | None |
Extract Cleanup: | None |
Extract Storage: | -80℃ |
Sample Derivatization: | Methoxyamination + silylation (MSTFA) |
Sample Spiking: | Adonitol, d4-succinic acid |