Oral Sessions
- Day 2, May 12（Tue.） 15:50-16:10 Room C (1101/02)
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2C-O9-1550 PDF
Fragmentation Mechanism of Phenethylamines during Electrospray Ionization
Electrospray ionization mass spectrometry (ESI-MS) has been widely used for analysis of biomolecules, which is believed to be detected as protonated and cation adducted molecules in positive ion mode. However, phenethylamine derivatives, which are known as neurotransmitter and psychoactive drug, undergoes protonation and subsequent ammonia loss during ESI process. As a result, the intense signal of the corresponding fragment ions is observed in ESI mass spectrum, which hampers the unambiguous identification of phenethylamine derivatives. To understand the mechanism of ammonia loss from phenethylammoniums, the fragmentation of model 4-substituted phenethylamines was investigated using ESI-MS, and the calculations with density functional theory and transition state theory. The fragment ions were identified as the spiro[cyclopropane-benzen] cations. The corresponding fragmentation is enhanced when the phenethylamines contain electron donating 4-substituted group.