The Mass Spectrometry society of Japan - The 71st Annual Conference on Mass Spectrometry, Japan
Japanese

Abstract

Table of contents

Timetable

Plenary Lecture

Symposium Sessions (Day1, Day2, Day3)

Basic Sessions (Day1, Day2, Day3)

Young Researchers' Sessions (Day1, Day2, Day3)

Poster Presentations (Day1, Day2, Day3)

Special Evening Sessions

Corporate Program

Basic Sessions

Day 2, May 16（Tue.）　10:27-10:45　Room B (Room 1202)

2B-O-1027　　PDF

Intramolecular charge-splitting in complementary McLafferty rearrangement reaction based on high-accurate EIMS and density functional theory

(1Yokohama City Univ., 2JEOL, 3Tohoku Univ.)
oMitsuo Takayama1, Masaaki Ubukata2, Keijiro Oshimo3, Kenji Nagatomo2, Fuminori Misaizu3

The mechanism of intramolecular charge-splitting (charge-retention and -migration) occurring from McLafferty rearrangement of the molecular ion M.+ of methyl valerate was examined by high-accurate EIMS and DFT calculations. The charge and spin distributions of the stable and unstable intermediates of the enol-type molecular ion showed the presence of two different fragment ions which are produced by charge-splitting.