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 |
Select appropriate tab below to view additional metadata details:
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 |
Chromatography:
Chromatography ID: | CH001117 |
Chromatography Summary: | 1µL of derivatized sample into a split/splitless (SSL) injector at 250 °C using a splitless injection on a Thermo Scientific™ TRACE™ 1310 GC. Helium carrier gas at a flow rate of 1 mL/min was used for separation on a Thermo Scientific™ TraceGOLD™ TG-5SILMS 30 m length × 0.25 mm i.d. × 0.25 µm film thickness column. The initial oven temperature was held at 70 °C for 4 min, followed by an initial gradient of 20 °C/min ramp rate. The final temperature was 320 °C and held for 8 min. |
Chromatography Comments: | 2D GC |
Instrument Name: | Leco Pegasus 4D GC |
Column Name: | Restek Rtx-5Sil (30m x 0.25mm,0.25um) |
Flow Rate: | 1 ml/min |
Injection Temperature: | 250 |
Internal Standard: | Adonitol, d4-succinic acid |
Sample Injection: | 1 uL |
Running Buffer: | Helium |
Transferline Temperature: | 250 |
Randomization Order: | Yes |
Chromatography Type: | GC |
Chromatography ID: | CH001118 |
Chromatography Summary: | Samples were injected in splitless mode using an autosampler (VCTS, Gerstel™, Linthicum, MD, USA) consisting of an Agilent© 7890 B gas chromatograph (Agilent Technologies, Palo Alto, CA, USA) in line with a Pegasus ® 4D ToF-MS instrument (Leco Corp., San Jose, CA, USA) equipped with an electron impact (EI) ionization source. Injection temperature was set at 250 °C (front inlet) and the helium (carrier gas) flow rate was set to 1 mL min-1. Separation on the GC was achieved using two columns, a primary Rxi®-5Sil MS capillary column (Cat. No. 13623-6850, Restek, Bellefonte, PA, USA) (30 m × 0.25 mm × 0.25 μm) in line with a secondary Rxi®-17Sil capillary column (Cat. No. 40201-6850, Restek, Bellefonte, PA, USA) (2 m × 0.15 mm × 0.15 μm). The temperature program for the primary column started isothermal at 70 °C for 1 min followed by a 6 °C min-1 ramp to 310 °C and a final 11 min hold at 310 °C. The secondary oven temperature was programmed with an offset of 5°C whereas the modulator temperature offset was 15° C relative to the first oven temperature. The modulation temperature (second-dimension separation time) was 4 s divided into a hot and cold pulse times of 0.60 s and 1.4 s, respectively between the two stages. |
Instrument Name: | Thermo Trace 1310 |
Column Name: | Thermo Scientific TraceGOLD TG-5SILMS (30m x 0.25 mm,0.25um) |
Injection Temperature: | 250 |
Internal Standard: | Adonitol, d4-succinic acid |
Sample Injection: | 1 uL |
Running Buffer: | Helium |
Transferline Temperature: | 250 |
Randomization Order: | Yes |
Chromatography Type: | GC |