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Title: 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox

Abstract

We provide the initial performance evaluation of a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer operating at the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory. The spectrometer constructed for the 21T system employs a commercial dual linear ion trap mass spectrometer coupled to a FTICR spectrometer designed and built in-house. Performance gains from moving to higher magnetic field strength are exemplified by the measurement of peptide isotopic fine structure, complex natural organic matter mixtures, and large proteins. Accurate determination of isotopic fine structure was demonstrated for doubly charged substance P with minimal spectral averaging, and 8,158 molecular formulas assigned to Suwannee River Fulvic Acid standard with RMS error of 10 ppb. We also demonstrated superior performance for intact proteins; namely, broadband isotopic resolution of the entire charge state distribution of apotransferrin (78 kDa) and facile isotopic resolution of monoclonal antibody under a variety of acquisition parameters (e.g. 6 s time-domains with absorption mode processing yielded resolution of approximately 1M at m/z =2,700).

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1340851
Report Number(s):
PNNL-SA-121061
Journal ID: ISSN 1044-0305; 49209; KP1704020
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Journal of the American Society for Mass Spectrometry
Additional Journal Information:
Journal Volume: 27; Journal Issue: 12; Journal ID: ISSN 1044-0305
Publisher:
American Society for Mass Spectrometry
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory

Citation Formats

Shaw, Jared B., Lin, Tzu-Yung, Leach, Franklin E., Tolmachev, Aleksey V., Tolić, Nikola, Robinson, Errol W., Koppenaal, David W., and Paša-Tolić, Ljiljana. 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox. United States: N. p., 2016. Web. doi:10.1007/s13361-016-1507-9.
Shaw, Jared B., Lin, Tzu-Yung, Leach, Franklin E., Tolmachev, Aleksey V., Tolić, Nikola, Robinson, Errol W., Koppenaal, David W., & Paša-Tolić, Ljiljana. 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox. United States. doi:10.1007/s13361-016-1507-9.
Shaw, Jared B., Lin, Tzu-Yung, Leach, Franklin E., Tolmachev, Aleksey V., Tolić, Nikola, Robinson, Errol W., Koppenaal, David W., and Paša-Tolić, Ljiljana. Wed . "21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox". United States. doi:10.1007/s13361-016-1507-9.
@article{osti_1340851,
title = {21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox},
author = {Shaw, Jared B. and Lin, Tzu-Yung and Leach, Franklin E. and Tolmachev, Aleksey V. and Tolić, Nikola and Robinson, Errol W. and Koppenaal, David W. and Paša-Tolić, Ljiljana},
abstractNote = {We provide the initial performance evaluation of a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer operating at the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory. The spectrometer constructed for the 21T system employs a commercial dual linear ion trap mass spectrometer coupled to a FTICR spectrometer designed and built in-house. Performance gains from moving to higher magnetic field strength are exemplified by the measurement of peptide isotopic fine structure, complex natural organic matter mixtures, and large proteins. Accurate determination of isotopic fine structure was demonstrated for doubly charged substance P with minimal spectral averaging, and 8,158 molecular formulas assigned to Suwannee River Fulvic Acid standard with RMS error of 10 ppb. We also demonstrated superior performance for intact proteins; namely, broadband isotopic resolution of the entire charge state distribution of apotransferrin (78 kDa) and facile isotopic resolution of monoclonal antibody under a variety of acquisition parameters (e.g. 6 s time-domains with absorption mode processing yielded resolution of approximately 1M at m/z =2,700).},
doi = {10.1007/s13361-016-1507-9},
journal = {Journal of the American Society for Mass Spectrometry},
issn = {1044-0305},
number = 12,
volume = 27,
place = {United States},
year = {2016},
month = {10}
}