ArticleJournal of the American Society for Mass Spectrometry2009
CE50: quantifying collision induced dissociation energy for small molecule characterization and identification.
Article in Journal of the American Society for Mass Spectrometry, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
33 citing papers in PubMed.
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- London Dispersion Governs Stereochemistry, Stability, and Self-Sorting in a System of MJournal of the American Chemical Society · 2026Article
- Fragmentation Resilience Energy Mass Spectrometry (FREMS): Methods Validation and Compound Differentiation.Molecules (Basel, Switzerland) · 2026Article
- Cooperative Anion-π and C-H-Cl Interactions in Multifunctional Naphthalene-Based Receptors for Chloride Recognition: Cage-Size Modulation Through Substitution Patterns.ChemPlusChem · 2024Article
- Triple three-dimensional MS/MS spectrum facilitates quantitative ginsenosides-targeted sub-metabolome characterization in notoginseng.Acta pharmaceutica Sinica. B · 2024Article
- Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes.The journal of physical chemistry letters · 2024Article
- Studying Cation Exchange in {CrChemistry (Weinheim an der Bergstrasse, Germany) · 2024Article
- Ion Mobility Mass Spectrometry for Large Synthetic Molecules: Expanding the Analytical Toolbox.Journal of the American Chemical Society · 2024Review
- Study of Mono and Di-Pharmaceuticals (Basel, Switzerland) · 2023Article
- Isomers Recognition in HPLC-MS/MS Analysis of Human Plasma Samples by Using an Ion Trap Supported by a Linear Equations-Based Algorithm.International journal of molecular sciences · 2023Article
- Adduct Ions as Diagnostic Probes of Metallosupramolecular Complexes Using Ion Mobility Mass Spectrometry.Inorganic chemistry · 2023Article
- Simultaneous Degradation Study of Isomers in Human Plasma by HPLC-MS/MS and Application of LEDA Algorithm for Their Characterization.International journal of molecular sciences · 2022Article
- Amino acid-linked platinum(II) compounds: non-canonical nucleoside preferences and influence on glycosidic bond stabilities.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2019Article
- Structures and Relative Glycosidic Bond Stabilities of Protonated 2'-Fluoro-Substituted Purine Nucleosides.Journal of the American Society for Mass Spectrometry · 2019Article
- Interrogating Proton Affinities of Organophosphonate Species Via Atmospheric Flow Tube Mass Spectrometry and Computational Methods.Journal of the American Society for Mass Spectrometry · 2019Article
- Alternated Branching Ratios by Anomaly in Collision-Induced Dissociation of Proton-Bound Hoogsteen Base Pairs of 1-Methylcytosine with 1-Methylguanine and 9-Methylguanine.Journal of the American Society for Mass Spectrometry · 2019Article
- Proton Transfer Accounting for Anomalous Collision-Induced Dissociation of Proton-Bound Hoogsteen Base Pair of Cytosine and Guanine.Journal of the American Society for Mass Spectrometry · 2018Article
- Influence of Linkage Stereochemistry and Protecting Groups on Glycosidic Bond Stability of Sodium Cationized Glycosyl Phosphates.Journal of the American Society for Mass Spectrometry · 2017Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Survival yield analysis is routinely used in mass spectroscopy as a tool for assessing precursor ion stability and internal energy. Because ion internal energy and decomposition reaction rates are dependent on chemical structure, we reasoned that survival yield curves should be compound-specific and therefore useful for chemical identification. In this study, a quantitative approach for analyzing the correlation between survival yield and collision energy was developed and validated. This method is based on determining the collision energy (CE) at which the survival yield is 50% (CE(50)) and, further, provides slope and intercept values for each survival yield curve. In initial experiments using a defined set of homologous compounds, we found that CE(50) values were easily determined, quantitative, highly reproducible, and could discriminate between structural and even positional isomers. Further analysis demonstrated that CE(50) values were independent of cone potential and orthogonal to compound mass. Experimentally determined CE(50) values for a diverse set of 54 compounds were correlated to Molconn molecular structure descriptors. The resulting model yielded a statistically significant linear correlation between experimental and calculated CE(50) values and identified several structural characteristics related to precursor ion stability and fragmentation mechanism. Thus, the CE(50) is a promising method for compound identification and discrimination.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.