Improved segmented-scan spectral stitching for stable isotope resolved metabolomics (SIRM) by ultra-high-resolution Fourier transform mass spectrometry
We have implemented a linear ion trap (LIT)-based SIM-stitching method for ultra-high-resolution Fourier transform mass spectrometry (FTMS) that increases the S/N over a wide m/z range compared to non-segmented wide full-scan (WFS) spectra. Here we described an improved segmented spectral scan stitc...
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Published in | Analytica chimica acta Vol. 1080; pp. 104 - 115 |
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Main Authors | , , , , , |
Format | Journal Article |
Language | English |
Published |
Netherlands
Elsevier B.V
08.11.2019
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Subjects | |
Online Access | Get full text |
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Summary: | We have implemented a linear ion trap (LIT)-based SIM-stitching method for ultra-high-resolution Fourier transform mass spectrometry (FTMS) that increases the S/N over a wide m/z range compared to non-segmented wide full-scan (WFS) spectra. Here we described an improved segmented spectral scan stitching method that was based on quadrupole mass filter (QMF)-SIM, which overcame previous limitations of ion signal loss in LIT. This allowed for accurate representation of isotopologue distributions, both at natural abundance and in stable isotope-resolved metabolomics (SIRM)-based experiments. We also introduced a new spectral binning method that provided more precise and resolution-independent bins for irreversibly noise-suppressed FTMS spectra. We demonstrated a substantial improvement in S/N and sensitivity (typically > 10-fold) for 13C labeled lipid extracts of human macrophages grown as three-dimensional (3D) cell culture, with detection of an increased number of 13C isotopologue ions. The method also enabled analysis of extracts from very limited biological samples.
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•Sample-specific segments were designed for the improved spectral stitching method.•Use of quadrupole mass filter-selected ion monitoring eliminates edge effect.•Binary floating point-based binning creates precise and resolution-independent bins.•Method was used on carbon-13 incorporated lipid profiling of human macrophage samples.•Method provides higher sensitivity and dynamic range compared with wide full-scan. |
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Bibliography: | Salim S. El-Amouri Funding Acquisition, Investigation, Resources, Writing – Review & Editing Data Curation, Investigation, Methodology, Software, Visualization, Writing – Original Draft Preparation, Writing – Review & Editing Dataset Andrew N. Lane Richard M Higashi Credit Author Statement Conceptualization, Funding Acquisition, Investigation, Resources, Supervision, Validation, Visualization, Writing – Original Draft Preparation, Writing – Review & Editing Woo-Young Kang, Patrick T. Thompson, Salim El-Amouri, Teresa W.M. Fan, Andrew N. Lane, and Richard M. Higashi, S7 (Sample-Specific Silhouette Segmented-Scan Spectral Stitching), https://zenodo.org/badge/latestdoi/150272490, 2018. Woo-Young Kang Teresa W.M. Fan Conceptualization, Data Curation, Investigation, Methodology, Project Administration, Validation, Visualization, Writing – Original Draft Preparation, Writing – Review & Editing Patrick T. Thompson Investigation, Writing – Original Draft Preparation, Writing – Review & Editing |
ISSN: | 0003-2670 1873-4324 |
DOI: | 10.1016/j.aca.2019.06.019 |