Combining Chemical Knowledge and Quantum Calculation for Interpreting Low-Energy Product Ion Spectra of Metabolite Adduct Ions: Sodiated Diterpene Diester Species as a Case Study-Reference-Cited by-同舟云学术

Combining Chemical Knowledge and Quantum Calculation for Interpreting Low-Energy Product Ion Spectra of Metabolite Adduct Ions: Sodiated Diterpene Diester Species as a Case Study

Published:2021-09-01 Issue:10 Volume:32 Page:2499-2504
ISSN:1044-0305
Container-title:Journal of the American Society for Mass Spectrometry
language:en
Short-container-title:J. Am. Soc. Mass Spectrom.

Author:

Tabet Jean-Claude¹²,Gimbert Yves¹³^ORCID,Damont Annelaure²,Touboul David⁴^ORCID,Fenaille François²^ORCID,Woods Amina S.⁵⁶^ORCID

Affiliation:

1. Sorbonne Universite, Faculté des Sciences et de l’Ingénierie, Institut Parisien de Chimie Moléculaire (IPCM), F-75005 Paris, France

2. Universite Paris-Saclay, CEA, INRAE, Département Médicaments et Technologies pour la Santé (DMTS), MetaboHUB, F-91191 Gif sur Yvette, France

3. Département de Chimie Moléculaire, UMR CNRS 5250, Universite Grenoble Alpes, 38058 Grenoble, France

4. Universite Paris-Saclay, CNRS, Institut de Chimie des Substances Naturelles, UPR 2301, 91198, Gif-sur-Yvette, France

5. NIDA IRP, NIH Structural Biology Unit Integrative Neuroscience Branch, 333 Cassell Drive, Baltimore, Maryland 21224, United States

6. The Johns Hopkins University School of Medicine, Pharmacology and Molecular Sciences, Baltimore, Maryland 21205, United States

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Spectroscopy,Structural Biology

Link

https://pubs.acs.org/doi/pdf/10.1021/jasms.1c00154

Reference18 articles.

1. Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale

2. Annotation: A Computational Solution for Streamlining Metabolomics Analysis

3. Enhanced MS/MS coverage for metabolite identification in LC-MS-based untargeted metabolomics by target-directed data dependent acquisition with time-staggered precursor ion list

4. Metabolomic spectral libraries for data-independent SWATH liquid chromatography mass spectrometry acquisition

5. Comparative Evaluation of Data Dependent and Data Independent Acquisition Workflows Implemented on an Orbitrap Fusion for Untargeted Metabolomics

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Origin and characterization of cyclodepsipeptides: Comprehensive structural approaches with focus on mass spectrometry analysis of alkali‐cationized molecular species;Mass Spectrometry Reviews;2024-08-21

2. Charge‐solvated versus protonated salt forms of cyclodepsipeptide toxins in electrospray: Dissociation of alkali‐cationized forms enables straightforward sequencing of cereulide;Journal of Mass Spectrometry;2024-05-16

3. Enantioselective Reduction of Noncovalent Complexes of Amino Acids with Cu^II via Resonant Collision-Induced Dissociation: Collision Energy, Activation Duration Effects, and RRKM Modeling;Journal of the American Society for Mass Spectrometry;2024-02-19

4. Predicting Preferences for Adduct Formation in Electrospray Ionization: The Case Study of Succinic Acid;Journal of the American Society for Mass Spectrometry;2023-03-21

5. Energy-Resolved Ion Mobility Spectrometry: Composite Breakdown Curves for Distinguishing Isomeric Product Ions;Journal of the American Society for Mass Spectrometry;2022-12-09