Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Protocol for structure determination of unknowns by EI mass spectrometry. II. Diagnostic ions in one ring alicyclic, heterocyclic, and aromatic compounds

Published

Author(s)

Anzor I. Mikaia

Abstract

Mass spectra of saturated carbocyclic hydrocarbons containing a single three, four, five, six, seven and more membered ring are discussed followed by the examination of their unsaturated analogs including aromatic hydrocarbons. Mass spectrometry characteristics of heterocyclic compounds for each cycle size with one, two, three and more hetero atoms in a ring are considered along with their mono and polyunsaturated analogs. An effect of (a) the size of a cycle, (b) number, nature, and location of elements in a ring, (c) position and nature of ring substituents, and (d) nature and location of unsaturation on the dissociation is revealed. Characteristic dissociation directions of these compounds and diagnostically important ions in their spectra are identified. Basic dissociation rules for alicyclic, heterocyclic, and aromatic compounds under EI are established for further use in the analysis of complex chemicals containing these structural elements.
Citation
J. Phys. & Chem. Ref. Data (JPCRD) -
Volume
52
Issue
2

Keywords

Mass spectra, electron ionization, cyclopropanes, cyclobutanes, cyclopentanes, cyclohexanes, cycloheptanes, alkylbenzenes, oxacyclanes, thiacyclanes, azacyclanes.

Citation

Mikaia, A. (2023), Protocol for structure determination of unknowns by EI mass spectrometry. II. Diagnostic ions in one ring alicyclic, heterocyclic, and aromatic compounds, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD, [online], https://doi.org/10.1063/5.0140771, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=935529 (Accessed June 4, 2023)
Created April 6, 2023, Updated May 2, 2023