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Retrieval and interpretative computer programs for mass spectrometry
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Computer Identification of Mass Spectra
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Computer-Aided Solutions to 13C NMR Spectral Interpretation Problems
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Automated Spectra Interpretation and Library Search Systems
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Improved method for estimating molecular weights of volatile organic compounds from low resolution mass spectra
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Rapid and accurate method for estimating molecular weights of organic compounds from low resolution mass spectra
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An Enlarged Data Base of Electron-Ionization Mass Spectra
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Estimating probabilities of correct identification from results of mass spectral library searches
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Optimization and testing of mass spectral library search algorithms for compound identification
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The computer-assisted interpretation of copolymer mass spectra
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Fred W. McLafferty
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Spectral similarity versus structural similarity: mass spectrometry
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A component tracking algorithm for accelerated and improved liquid chromatography–mass spectrometry method development
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Complexation of Danube common nase (Chondrostoma nasus L.) oil by β-cyclodextrin and 2-hydroxypropyl-β-cyclodextrin
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Correlation of chemical and physical properties of an Alaska heavy oil from the Ugnu formation
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Identification of essential components of by gas chromatography/mass spectrometry and the integrated chemometric approach
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Probabilities of peak occurrence and information content of the NBS/EPA/MSDC mass-spectral data base
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Expert system for estimates of molecular weights of volatile organic compounds from low-resolution mass spectra
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Development of algorithms for automated elucidation of spectral feature/substructure relationships in tandem mass spectrometry
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Gas chromatography with spectroscopic detectors
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Comparison of algorithms and databases for matching unknown mass spectra
inferred← citeshttps://doi.org/10.1016/s1044-0305(99)00104-xopenalex-snapshot
Unknown identification using reference mass spectra. Quality evaluation of databases
inferred← citeshttps://doi.org/10.1021/ac00006a002openalex-snapshot
Exact mass probability based matching of high-resolution unknown mass spectra
inferred← citeshttps://doi.org/10.1021/ac00124a017openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ac00134a001openalex-snapshot
Automated spectral interpretation
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Hadamard transform and "no-peak" enhancement in measurement of tandem Fourier transform mass spectra
inferred← citeshttps://doi.org/10.1021/ac00144a045openalex-snapshot
Switched wall jet for dynamic response measurements
inferred← citeshttps://doi.org/10.1021/ac00150a002openalex-snapshot
Solving the MS/MS Puzzle: Strategies for Automated Structure Elucidation
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Application of visual spectral matching techniques to automated carbon-13 nuclear magnetic resonance library searching
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PyFragMS─A Web Tool for the Investigation of the Collision-Induced Fragmentation Pathways
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Chemoinformatics: Past, Present, and Future†
inferred← citeshttps://doi.org/10.1038/s42004-024-01189-0openalex-snapshot
Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method
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Spectral material mapping using hyperspectral imagery: a review of spectral matching and library search methods
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Comparison of electron ionization mass spectra of some organic compounds (MW < 200 Da) recorded on mass spectrometers of various types
inferred← citeshttps://doi.org/10.1134/s1061934811140188openalex-snapshot
Possibility of the reliable identification of unknown compounds using an MS search program and a commercial electron ionization mass spectral database
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Computation Program System for Structural Analysis and Quantification of Organic Contaminants on Silicon Wafer Surfaces from Mass Spectra
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Computer-assisted identification of additives included in polymers by combining MS, 1H-NMR, 31P-NMR and LC/MS.
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Fatty Acid Profile of Lipid Fractions of Mangalitza (Sus scrofa domesticus) from Northern Romania: A GC-MS-PCA Approach
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Compostos orgànics volàtils i semivolàtils presents en aigua envasada : extracció i anàlisi mitjançant GC-MS
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Building an Honest Tree for Mass Spectra Classification Based on Prior Logarithm Normal Distribution
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