Orbitrap High‐Resolution Applications

Strife, Robert J.

doi:10.1002/9780470921371.ch4

Cited by 2 publications

(2 citation statements)

References 34 publications

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“…The previously reported figure of merit was sub-ppm. Accuracy is important as well, but it had been reported many years ago that in the case of the Orbitrap, mass errors were highly systematic, which practically means glyphs tend to stay aligned. , Nevertheless, a simple internal recalibration following the principle in the original mapping work of Hughey et al was applied successfully.…”

Section: Resultsmentioning

confidence: 99%

“…Mass spectral peak intensities for ionization states (e.g., [M + H] + , [M+NH 4 ] + , [M + Na] + , etc. ), charge states ( z ), and isotope peaks were automatically combined into a single summed value for each unique formula, using very accurate m / z differences , to discover the origins and relationships of m / z signals. They named this general approach normalized-mass-mapping since “Kendrick” refers specifically to normalization of the periodic table to CH 2 = 14.0000 vs IUPAC C = 12.0000.…”

Section: Introductionmentioning

confidence: 99%

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Normalized Mass Maps in Three-Dimensional Space Combining Kendrick-like Values with Chromatographic Separation for Enhanced Data Deconvolution

Strife¹,

Campbell²,

Price

et al. 2021

J. Am. Soc. Mass Spectrom.

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The incorporation of retention-time information into a fully rotatable and interactive three-dimensional (3D), “Kendrick-like” normalized mass map (NMM) using a single software platform is reported. Surprising discoveries were made about the elution pattern of block ethoxylate-propoxylate oligomers (ca. 2800 Da) in the supercritical fluid after combined SFC-Orbitrap FTMS analysis. The 3D NMM also facilitated identification of impurities using interactive graphics tools within the map. By selecting map glyphs, associated reconstructed ion chromatograms were automatically generated. Last, since Kendrick and Kendrick-like mapping (NMM) are chemical-formula-based, incorporating retention time in 3D space allows the possibility of resolving isomers in the map.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Normalized Mass Maps in Three-Dimensional Space Combining Kendrick-like Values with Chromatographic Separation for Enhanced Data Deconvolution

Strife¹,

Campbell²,

Price

et al. 2021

J. Am. Soc. Mass Spectrom.

Self Cite

View full text Add to dashboard Cite

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Microstructure characterization and mechanistic insight into polyether polyols and their associated polyurethanes

Gies

Hercules

Raghuraman

et al. 2023

Mass Spectrometry Reviews

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This article reviews the analytical tool chest used for characterizing alkoxylates and their associated copolymer mixtures. Specific emphasis will be placed upon the use of mass spectrometry‐based techniques as rapid characterization tools for optimizing reaction processes in an industrial R&D setting. An initial tutorial will cover the use of matrix‐assisted laser desorption/ionization‐mass spectrometry and tandem mass spectrometry fragmentation for detailed component analysis (e.g., polyol and isocyanate) of a model polyurethane‐based foam. Next, this critical feedback information will be used with the guidance of mass spectrometry to initiate the development of a new, more efficient, tris(pentafluorophenyl)borane (FAB) catalyst‐based alkoxylation process for generating the next generation of glycerin‐initiated poly(propylene oxide)‐co‐poly(ethylene oxide) copolymers. Examples will be provided for each step in the FAB‐based optimization process that were required to generate the final product. Following this example, two‐dimensional liquid chromatography, supercritical fluid chromatography, and ion mobility separations, along with their coupling to mass spectrometry, will be reviewed for their efficiency in characterizing and quantitating the components within these complex polyether polyol mixtures.

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Orbitrap High‐Resolution Applications

Cited by 2 publications

References 34 publications

Normalized Mass Maps in Three-Dimensional Space Combining Kendrick-like Values with Chromatographic Separation for Enhanced Data Deconvolution

Normalized Mass Maps in Three-Dimensional Space Combining Kendrick-like Values with Chromatographic Separation for Enhanced Data Deconvolution

Microstructure characterization and mechanistic insight into polyether polyols and their associated polyurethanes

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