Methanol chemical ionization of ketones and aldehydes. [2-octanone; 2-octanal]

Conference · Wed May 01 04:00:00 EDT 1985

OSTI ID:5847608

Miller, D; Hawthorne, S

The identification of many organic species in coal-derived products is difficult because of the extremely complex nature of these samples, the lack of appropriate standard compounds, and the often ambiguous nature of conventional electron impact (EI) spectra. Chemical ionization (CI) mass spectrometry using class-specific reactions between reagent ions and sample species has been used to identify several compounds in complex mixtures including aromatic amines, alcohols, ethers, carboxylic acids, and alkyl benzene isomers. New chemical ionization mass spectra of aldehydes and ketones using methanol as a reagent gas are reported here. The mass spectrum of the aldehydes and ketones studied shows a pseudomolecular ion at (M + H)/sup +/, the addition of (CH/sub 3/OH/sub 2/)/sup +/ and dimer formation with the addition of H/sup +/. Aldehydes also show a loss of water at M - 17. Methanol chemical ionization mass spectra of 2-octanone and 2-octanal are shown in Figures 1 and 2. The ions at m/z 257 are attributed to an octanone or octanal dimer with the addition of H/sup +/. The ions at m/z 129 and 161 are attributed to (M + H)/sup +/ and (M + CH/sub 3/OH/sub 2/)/sup +/, respectively. Generally, the major ions observed in the ketone spectra were the (M + H)/sup +/ and (M + CH/sub 3/OH/sub 2/)/sup +/ with the pseudomolecular ion being the base peak. Aldehyde spectra contained the same two major ions, (M + H)/sup +/ and (M + CH/sub 3/OH/sub 2/)/sup +/, and an ion corresponding to the loss of water from the pseudomolecular ion. Dimer formation with the addition of H/sup +/ was observed in the spectra of each of the aldehydes and ketones tested. 2 figs.

• Research Organization: North Dakota Univ., Grand Forks (USA). Energy Research Center
• DOE Contract Number: FC21-83FE60181
• OSTI ID: 5847608
• Report Number(s): DOE/FE/60181-135; CONF-8505123-2; ON: DE85012016
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ALCOHOLS
ALDEHYDES
CHROMATOGRAPHY
COAL LIQUIDS
DATA
EXPERIMENTAL DATA
FLUIDS
GAS CHROMATOGRAPHY
HYDROXY COMPOUNDS
INFORMATION
IONIZATION
KETONES
LIQUIDS
MASS SPECTRA
MASS SPECTROSCOPY
METHANOL
NUMERICAL DATA
ORGANIC COMPOUNDS
SEPARATION PROCESSES
SPECTRA
SPECTROSCOPY