Cargando…
Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data
[Image: see text] Clean high-resolution mass spectra (HRMS) are essential to a successful structural elucidation of an unknown feature during nontarget analysis (NTA) workflows. This is a crucial step, particularly for the spectra generated during data-independent acquisition or during direct infusi...
Autores principales: | van Herwerden, Denice, O’Brien, Jake W., Lege, Sascha, Pirok, Bob W. J., Thomas, Kevin V., Samanipour, Saer |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448439/ https://www.ncbi.nlm.nih.gov/pubmed/37549176 http://dx.doi.org/10.1021/acs.analchem.3c00896 |
Ejemplares similares
-
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data
por: Boelrijk, Jim, et al.
Publicado: (2023) -
From Centroided to Profile Mode: Machine Learning
for Prediction of Peak Width in HRMS Data
por: Samanipour, Saer, et al.
Publicado: (2021) -
Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning
por: Yang, Fan, et al.
Publicado: (2022) -
Chemometric
Strategies for Fully Automated Interpretive
Method Development in Liquid Chromatography
por: Bos, Tijmen S., et al.
Publicado: (2022) -
Spontaneous In-Source Fragmentation Reaction Mechanism and Highly Sensitive Analysis of Dicofol by Electrospray Ionization Mass Spectrometry
por: Xie, Jun, et al.
Publicado: (2023)