High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum

Biswapriya B. Misra, Ekong Bassey, Andrew C. Bishop, David T. Kusel, Laura A. Cox, Michael Olivier

    Research output: Contribution to journalArticle

    3 Citations (Scopus)

    Abstract

    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 1D-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 HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two-dimensional gas chromatography/time-of-flight mass spectrometry (2D-GC/TOF-MS) for metabolite identification and quantification following established standard protocols. Results: Overall, the 2D-GC/TOF-MS (~5000 peaks per sample) and 1D-GC/Orbitrap-MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal-to-noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D-GC/TOF-MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D-GC/Orbitrap-MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70% of the peaks remain unidentified or un-annotated across both platforms. Conclusions: Our study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS-based metabolomics with multi-dimensional chromatography in future studies addressing clinical conditions or exposome studies.

    Original languageEnglish (US)
    Pages (from-to)1497-1506
    Number of pages10
    JournalRapid Communications in Mass Spectrometry
    Volume32
    Issue number17
    DOIs
    StatePublished - Sep 15 2018

    Fingerprint

    Metabolites
    Gas chromatography
    Mass spectrometry
    Chromatography
    Mass spectrometers
    Quality control
    Primates
    Metabolomics
    Signal to noise ratio

    ASJC Scopus subject areas

    • Analytical Chemistry
    • Spectroscopy
    • Organic Chemistry

    Cite this

    Misra, B. B., Bassey, E., Bishop, A. C., Kusel, D. T., Cox, L. A., & Olivier, M. (2018). High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum. Rapid Communications in Mass Spectrometry, 32(17), 1497-1506. https://doi.org/10.1002/rcm.8197

    High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum. / Misra, Biswapriya B.; Bassey, Ekong; Bishop, Andrew C.; Kusel, David T.; Cox, Laura A.; Olivier, Michael.

    In: Rapid Communications in Mass Spectrometry, Vol. 32, No. 17, 15.09.2018, p. 1497-1506.

    Research output: Contribution to journalArticle

    Misra, BB, Bassey, E, Bishop, AC, Kusel, DT, Cox, LA & Olivier, M 2018, 'High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum', Rapid Communications in Mass Spectrometry, vol. 32, no. 17, pp. 1497-1506. https://doi.org/10.1002/rcm.8197
    Misra, Biswapriya B. ; Bassey, Ekong ; Bishop, Andrew C. ; Kusel, David T. ; Cox, Laura A. ; Olivier, Michael. / High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum. In: Rapid Communications in Mass Spectrometry. 2018 ; Vol. 32, No. 17. pp. 1497-1506.
    @article{0e19af944eba4397bb1de6e84ce71136,
    title = "High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum",
    abstract = "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 1D-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 HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two-dimensional gas chromatography/time-of-flight mass spectrometry (2D-GC/TOF-MS) for metabolite identification and quantification following established standard protocols. Results: Overall, the 2D-GC/TOF-MS (~5000 peaks per sample) and 1D-GC/Orbitrap-MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal-to-noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D-GC/TOF-MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D-GC/Orbitrap-MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70{\%} of the peaks remain unidentified or un-annotated across both platforms. Conclusions: Our study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS-based metabolomics with multi-dimensional chromatography in future studies addressing clinical conditions or exposome studies.",
    author = "Misra, {Biswapriya B.} and Ekong Bassey and Bishop, {Andrew C.} and Kusel, {David T.} and Cox, {Laura A.} and Michael Olivier",
    year = "2018",
    month = "9",
    day = "15",
    doi = "10.1002/rcm.8197",
    language = "English (US)",
    volume = "32",
    pages = "1497--1506",
    journal = "Rapid Communications in Mass Spectrometry",
    issn = "0951-4198",
    publisher = "John Wiley and Sons Ltd",
    number = "17",

    }

    TY - JOUR

    T1 - High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum

    AU - Misra, Biswapriya B.

    AU - Bassey, Ekong

    AU - Bishop, Andrew C.

    AU - Kusel, David T.

    AU - Cox, Laura A.

    AU - Olivier, Michael

    PY - 2018/9/15

    Y1 - 2018/9/15

    N2 - 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 1D-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 HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two-dimensional gas chromatography/time-of-flight mass spectrometry (2D-GC/TOF-MS) for metabolite identification and quantification following established standard protocols. Results: Overall, the 2D-GC/TOF-MS (~5000 peaks per sample) and 1D-GC/Orbitrap-MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal-to-noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D-GC/TOF-MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D-GC/Orbitrap-MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70% of the peaks remain unidentified or un-annotated across both platforms. Conclusions: Our study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS-based metabolomics with multi-dimensional chromatography in future studies addressing clinical conditions or exposome studies.

    AB - 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 1D-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 HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two-dimensional gas chromatography/time-of-flight mass spectrometry (2D-GC/TOF-MS) for metabolite identification and quantification following established standard protocols. Results: Overall, the 2D-GC/TOF-MS (~5000 peaks per sample) and 1D-GC/Orbitrap-MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal-to-noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D-GC/TOF-MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D-GC/Orbitrap-MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70% of the peaks remain unidentified or un-annotated across both platforms. Conclusions: Our study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS-based metabolomics with multi-dimensional chromatography in future studies addressing clinical conditions or exposome studies.

    UR - http://www.scopus.com/inward/record.url?scp=85051144803&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=85051144803&partnerID=8YFLogxK

    U2 - 10.1002/rcm.8197

    DO - 10.1002/rcm.8197

    M3 - Article

    AN - SCOPUS:85051144803

    VL - 32

    SP - 1497

    EP - 1506

    JO - Rapid Communications in Mass Spectrometry

    JF - Rapid Communications in Mass Spectrometry

    SN - 0951-4198

    IS - 17

    ER -