Detail of "10578-34-4"

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The nominal butyl ester ion in the mass spectra of long-chain n-alkyl esters

The nominal butyl ester ion in the mass spectra of long-chain n-alkyl esters. Meyerson, Seymour; Kuhn, E. S.; Puskas, Imre; Fields, E. K. (Res. Dep., Stand. Oil Co. (Indiana), Naperville, Ill., USA).Some commonly used reagents like 10578-34-4 is used in this experiment. J. Phys. Chem., 80(26), 2855-60 (English) 1976. CODEN: JPCHAX. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) The mass spectra of n-alkyl carboxylates in which the alkyl group contains .gtoreq.7 C atoms show a characteristic peak at the mass of the mol. ion of the corresponding Bu ester. Intensity is generally low, of the order of a few hundredths to a few tenths percent of total intensity. However, it is comparatively free of interferences and substantially more intense than peaks corresponding to higher and lower homologs; hence it is a useful feature for qualitative identification. We have explored the origins of this peak in the spectrum of n-octadecyl benzoate, employing D labeling, precise-mass measurement, and metastable scanning. The greater part of the intensity appears to arise by a reaction sequence initiated by the familiar .gamma.-H migration to the carbonyl O, followed by a second H migration from C-6 to C-2,.beta. cleavage of the bond between C-4 and C-5, and stabilization by a third H migration probably from C-3 to the carbonyl O. Some 20% of the obsd. intensity apparently stems from one of a family of reactions giving rise to a homologous series of (M+-CkH2k) fragments via nonspecific H abstraction and .beta. C-C bond cleavage. .