Improved segmented-scan spectral stitching for stable isotope resolved metabolomics (SIRM) by ultra-high-resolution Fourier transform mass spectrometry

Woo Young Kang; Patrick T. Thompson; Salim S. El-Amouri; Teresa W.M. Fan; Andrew N. Lane; Richard M. Higashi

doi:10.1016/j.aca.2019.06.019

Improved segmented-scan spectral stitching for stable isotope resolved metabolomics (SIRM) by ultra-high-resolution Fourier transform mass spectrometry

Woo Young Kang
, Patrick T. Thompson
, Salim S. El-Amouri
, Teresa W.M. Fan
, Andrew N. Lane
, Richard M. Higashi

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	104-115
Number of pages	12
Journal	Analytica Chimica Acta
Volume	1080
DOIs	https://doi.org/10.1016/j.aca.2019.06.019
State	Published - Nov 8 2019

Bibliographical note

Publisher Copyright:
© 2019 Elsevier B.V.

Funding

This work was supported in part by NIH grants 1P01CA163223-01A1 (to ANL and TWMF), 1U24DK097215-01A1 (to RMH, TWMF, and ANL), 1R01CA118434-01A2 (to TWMF), 3R01CA118434-02S1 (to TWMF), 5P20GM121327-03 (Metabolism Core to ANL and RMH), and the Redox Metabolism Shared Resource(s) of the University of Kentucky Markey Cancer Center ( P30CA177558 ). This work was supported in part by NIH grants 1P01CA163223-01A1 (to ANL and TWMF), 1U24DK097215-01A1 (to RMH, TWMF, and ANL), 1R01CA118434-01A2 (to TWMF), 3R01CA118434-02S1 (to TWMF), 5P20GM121327-03 (Metabolism Core to ANL and RMH), and the Redox Metabolism Shared Resource(s) of the University of Kentucky Markey Cancer Center (P30CA177558). We thank François Allain for providing the Thermo MSFileReader Python library. This work was supported in part by NIH grants 1P01CA163223-01A1 (to ANL and TWMF), 1U24DK097215-01A1 (to RMH, TWMF, and ANL), 1R01CA118434-01A2 (to TWMF), 3R01CA118434-02S1 (to TWMF), 5P20GM121327-03 (Metabolism Core to ANL and RMH), and the Redox Metabolism Shared Resource(s) of the University of Kentucky Markey Cancer Center (P30CA177558). We thank Fran?ois Allain for providing the Thermo MSFileReader Python library.

Funders	Funder number
TWMF
University of Kentucky Markey Comprehensive Cancer Center	P30CA177558
National Institutes of Health (NIH)	1U24DK097215-01A1, 1P01CA163223-01A1, ANL
National Childhood Cancer Registry – National Cancer Institute	R01CA118434
Argonne National Laboratory	3R01CA118434-02S1, 5P20GM121327-03
Center for Outcomes Research and Evaluation, Yale School of Medicine
Norges Idrettshøgskole

Keywords

Spectral binning
Spectral stitching
Stable isotope-resolved metabolomics (SIRM)
Ultra-high-resolution Fourier transform mass spectrometry

ASJC Scopus subject areas

Analytical Chemistry
Environmental Chemistry
Biochemistry
Spectroscopy

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10.1016/j.aca.2019.06.019

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title = "Improved segmented-scan spectral stitching for stable isotope resolved metabolomics (SIRM) by ultra-high-resolution Fourier transform mass spectrometry",

abstract = "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.",

keywords = "Spectral binning, Spectral stitching, Stable isotope-resolved metabolomics (SIRM), Ultra-high-resolution Fourier transform mass spectrometry",

author = "Kang, \{Woo Young\} and Thompson, \{Patrick T.\} and El-Amouri, \{Salim S.\} and Fan, \{Teresa W.M.\} and Lane, \{Andrew N.\} and Higashi, \{Richard M.\}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

month = nov,

day = "8",

doi = "10.1016/j.aca.2019.06.019",

language = "English",

volume = "1080",

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AU - Thompson, Patrick T.

AU - El-Amouri, Salim S.

AU - Fan, Teresa W.M.

AU - Lane, Andrew N.

AU - Higashi, Richard M.

PY - 2019/11/8

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AB - 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.

KW - Spectral binning

KW - Spectral stitching

KW - Stable isotope-resolved metabolomics (SIRM)

KW - Ultra-high-resolution Fourier transform mass spectrometry

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AN - SCOPUS:85067368261

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JO - Analytica Chimica Acta

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Improved segmented-scan spectral stitching for stable isotope resolved metabolomics (SIRM) by ultra-high-resolution Fourier transform mass spectrometry

Abstract

Bibliographical note

Funding

Keywords

ASJC Scopus subject areas

Access to Document

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