2020
DOI: 10.1002/cssc.202000239
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Contributions to Lignomics: Stochastic Generation of Oligomeric Lignin Structures for Interpretation of MALDI–FT‐ICR‐MS Results

Abstract: The lack of standards to identify oligomeric molecules is a challenge for the analysis of complex organic mixtures. High‐resolution mass spectrometry—specifically, Fourier‐transform ion cyclotron resonance mass spectrometry (FT‐ICR MS)—offers new opportunities for analysis of oligomers with the assignment of formulae (CxHyOz) to detected peaks. However, matching a specific structure to a given formula remains a challenge due to the inability of FT‐ICR MS to distinguish between isomers. Additional separation te… Show more

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Cited by 31 publications
(66 citation statements)
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References 121 publications
(284 reference statements)
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“…[112,113] Consequently, common MALDI approaches fail to cover the real mass distribution on the whole broad mass range of lignin and of heavy liquefaction products. [56,57] MALDI or LDI remains an interesting method for oligomer analysis if LDI is combined with high resolution (HR) MS and if careful ionization conditions are used. [114] (MA)LDI-HRMS can provide the elemental formula of oligomers and even their chemical structure if it is combined with an advanced stochastic modeling approach.…”
Section: Discussionmentioning
confidence: 99%
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“…[112,113] Consequently, common MALDI approaches fail to cover the real mass distribution on the whole broad mass range of lignin and of heavy liquefaction products. [56,57] MALDI or LDI remains an interesting method for oligomer analysis if LDI is combined with high resolution (HR) MS and if careful ionization conditions are used. [114] (MA)LDI-HRMS can provide the elemental formula of oligomers and even their chemical structure if it is combined with an advanced stochastic modeling approach.…”
Section: Discussionmentioning
confidence: 99%
“…[55] Indeed, m/z higher than 2000 are poorly resolved in previous work on MALDI-TOF analysis of lignin. MALDI is rather used for lignomic analysis of oligomers [57,58] with higher resolution mass spectrometers (resolution in the range of 200 000) than for TOF MS.…”
Section: Monomer Quantification By Gc-ms/fidmentioning
confidence: 99%
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