Water chemical ionization mass spectrometry of aldehydes, ketones esters, and carboxylic acids

Journal Article · Sat Nov 01 00:00:00 EST 1986 · Appl. Spectrosc.; (United States)

DOI:https://doi.org/10.1366/0003702864507576· OSTI ID:6814117

Hawthorne, S B; Miller, D J

Chemical ionization mass spectrometry (CI) of aliphatic and aromatic carbonyl compounds using water as the reagent gas provides intense pseudomolecular ions and class-specific fragmentation patterns that can be used to identify aliphatic aldehydes, ketones, carboxylic acids, and esters. The length of ester acyl and alkyl groups can easily be determined on the basis of loss of alcohols from the protonated parent. Water CI provides for an approximately 200:1 selectivity of carbonyl species over alkanes. No reagent ions are detected above 55 amu, allowing species as small as acetone, propanal, acetic acid, and methyl formate to be identified. When deuterate water was used as the reagent, only the carboxylic acids and ..beta..-diketones showed significant H/D exchange. The use of water CI to identify carbonyl compounds in a wastewater from the supercritical water extraction of lignite coal, in lemon oil, and in whiskey volatiles is discussed.

• Research Organization: University of North Dakota Energy Research Center, Box 8213, University Station, Grand Forks, North Dakota 58202
• DOE Contract Number: FC21-83FE60181
• OSTI ID: 6814117
• Journal Information: Appl. Spectrosc.; (United States), Vol. 41:8
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ALDEHYDES
CHEMICAL ANALYSIS
CARBOXYLIC ACIDS
ESTERS
KETONES
FOSSIL FUELS
GAS CHROMATOGRAPHY
MASS SPECTROSCOPY
CHROMATOGRAPHY
ENERGY SOURCES
FUELS
ORGANIC ACIDS
ORGANIC COMPOUNDS
SEPARATION PROCESSES
SPECTROSCOPY
400102* - Chemical & Spectral Procedures