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Protocol for Structure Determination of Unknowns by EI Mass Spectrometry. I. Diagnostic Ions for Acyclic Compounds with up to One Functional Group

Published

Author(s)

Anzor I. Mikaia

Abstract

The review covers wide-ranging electron ionization (EI) dissociation reactions for various acyclic compounds and their derivatives such as alcohols, aldehydes, ketones, carboxylic acids, amines, halides, thiols, thiones, esters, thioesters, amides and more. Common derivatives of monofunctional compounds, such as trialkylsilyl, acyl, perfluoroacyl, oxazoline and nicotinyl derivatives, are also discussed. Mass spectral behavior of these compounds is discussed, structures and stabilities of product ions are considered, and the ions of diagnostic power in their EI spectra are highlighted. Characteristic dissociation pathways for specific structural elements and their application for spectra/structure correlations are presented. Fundamental approaches to identification of an unknown are given. The advantages and limitations of EI mass spectrometry are emphasized. This knowledge is the key for successful application of exceptional capabilities of EI mass spectrometry for initial structure elucidation and then reliable structure determination of unknowns.
Citation
The Journal of Physical and Chemical Reference Data
Volume
51
Issue
3

Keywords

Mass spectra, electron ionization, aliphatic hydrocarbons, alcohols, aldehydes, ketones, acids, amines, amides, thiols, thiones, derivatives, identification of unknowns.

Citation

Mikaia, A. (2022), Protocol for Structure Determination of Unknowns by EI Mass Spectrometry. I. Diagnostic Ions for Acyclic Compounds with up to One Functional Group, The Journal of Physical and Chemical Reference Data, [online], https://doi.org/10.1063/5.0091956, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=934227 (Accessed January 28, 2023)
Created September 13, 2022, Updated November 29, 2022