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Title: Electrospray Ionization with High-Resolution Mass Spectrometry as a Tool for Lignomics: Lignin Mass Spectrum Deconvolution

Abstract

The capability to characterize lignin, lignocellulose, and their degradation products is essential for the development of new renewable feedstocks. Electrospray ionization high-resolution time-of-flight mass spectrometry (ESI-HR TOF-MS) method was developed expanding the lignomics toolkit while targeting the simultaneous detection of low and high molecular weight (MW) lignin species. The effect of a broad range of electrolytes and various ionization conditions on ion formation and ionization effectiveness was studied using a suite of mono-, di-, and triarene lignin model compounds as well as kraft alkali lignin. Contrary to the previous studies, the positive ionization mode was found to be more effective for methoxy-substituted arenes and polyphenols, i.e., species of a broadly varied MW structurally similar to the native lignin. For the first time, we report an effective formation of multiply charged species of lignin with the subsequent mass spectrum deconvolution in the presence of 100 mmol L{sup −1} formic acid in the positive ESI mode. The developed method enabled the detection of lignin species with an MW between 150 and 9000 Da or higher, depending on the mass analyzer. The obtained M{sub n} and M{sub w} values of 1500 and 2500 Da, respectively, were in good agreement with those determined by gel permeation chromatography. Furthermore,more » the deconvoluted ESI mass spectrum was similar to that obtained with matrix-assisted laser desorption/ionization (MALDI)-HR TOF-MS, yet featuring a higher signal-to-noise ratio. The formation of multiply charged species was confirmed with ion mobility ESI-HR Q-TOF-MS. .« less

Authors:
 [1];  [2]; ; ; ;  [3]
  1. Agilent Technologies (United States)
  2. University of North Carolina at Chapel Hill, Department of Chemistry (United States)
  3. University of North Dakota, Department of Chemistry (United States)
Publication Date:
OSTI Identifier:
22776917
Resource Type:
Journal Article
Journal Name:
Journal of the American Society for Mass Spectrometry
Additional Journal Information:
Journal Volume: 29; Journal Issue: 5; Conference: 29. ASMS Sanibel conference on peptidomics: Bridging the gap between proteomics and metabolomics by MS, Clearwater Beach, FL (United States), 19-22 Jan 2017; Other Information: Copyright (c) 2018 American Society for Mass Spectrometry; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1044-0305
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; DESORPTION; EFFICIENCY; ELECTROLYTES; GEL PERMEATION CHROMATOGRAPHY; ION MOBILITY; IONIZATION; LIGNIN; MASS SPECTRA; MASS SPECTROSCOPY; MOLECULAR WEIGHT; POLYPHENOLS; SIGNAL-TO-NOISE RATIO; TIME-OF-FLIGHT METHOD; TOOLS

Citation Formats

Andrianova, Anastasia A., DiProspero, Thomas, Geib, Clayton, Smoliakova, Irina P., Kozliak, Evguenii I., and Kubátová, Alena. Electrospray Ionization with High-Resolution Mass Spectrometry as a Tool for Lignomics: Lignin Mass Spectrum Deconvolution. United States: N. p., 2018. Web. doi:10.1007/S13361-018-1916-Z.
Andrianova, Anastasia A., DiProspero, Thomas, Geib, Clayton, Smoliakova, Irina P., Kozliak, Evguenii I., & Kubátová, Alena. Electrospray Ionization with High-Resolution Mass Spectrometry as a Tool for Lignomics: Lignin Mass Spectrum Deconvolution. United States. doi:10.1007/S13361-018-1916-Z.
Andrianova, Anastasia A., DiProspero, Thomas, Geib, Clayton, Smoliakova, Irina P., Kozliak, Evguenii I., and Kubátová, Alena. Tue . "Electrospray Ionization with High-Resolution Mass Spectrometry as a Tool for Lignomics: Lignin Mass Spectrum Deconvolution". United States. doi:10.1007/S13361-018-1916-Z.
@article{osti_22776917,
title = {Electrospray Ionization with High-Resolution Mass Spectrometry as a Tool for Lignomics: Lignin Mass Spectrum Deconvolution},
author = {Andrianova, Anastasia A. and DiProspero, Thomas and Geib, Clayton and Smoliakova, Irina P. and Kozliak, Evguenii I. and Kubátová, Alena},
abstractNote = {The capability to characterize lignin, lignocellulose, and their degradation products is essential for the development of new renewable feedstocks. Electrospray ionization high-resolution time-of-flight mass spectrometry (ESI-HR TOF-MS) method was developed expanding the lignomics toolkit while targeting the simultaneous detection of low and high molecular weight (MW) lignin species. The effect of a broad range of electrolytes and various ionization conditions on ion formation and ionization effectiveness was studied using a suite of mono-, di-, and triarene lignin model compounds as well as kraft alkali lignin. Contrary to the previous studies, the positive ionization mode was found to be more effective for methoxy-substituted arenes and polyphenols, i.e., species of a broadly varied MW structurally similar to the native lignin. For the first time, we report an effective formation of multiply charged species of lignin with the subsequent mass spectrum deconvolution in the presence of 100 mmol L{sup −1} formic acid in the positive ESI mode. The developed method enabled the detection of lignin species with an MW between 150 and 9000 Da or higher, depending on the mass analyzer. The obtained M{sub n} and M{sub w} values of 1500 and 2500 Da, respectively, were in good agreement with those determined by gel permeation chromatography. Furthermore, the deconvoluted ESI mass spectrum was similar to that obtained with matrix-assisted laser desorption/ionization (MALDI)-HR TOF-MS, yet featuring a higher signal-to-noise ratio. The formation of multiply charged species was confirmed with ion mobility ESI-HR Q-TOF-MS. .},
doi = {10.1007/S13361-018-1916-Z},
journal = {Journal of the American Society for Mass Spectrometry},
issn = {1044-0305},
number = 5,
volume = 29,
place = {United States},
year = {2018},
month = {5}
}