Providing system solutions and analysis program of mass spectrometry data and analysis apparatus of mass spectrometry and data analysis method of mass spectrometry data

摘要

PPROBLEM TO BE SOLVED: To cope with a substance of unknown structure, to precisely identify the structure of a parent ion, and to draw estimated structure. PSOLUTION: A mass spectrometric data is acquired as to an ionized sample, and a dissociated ion using the sample as the parent ion, a proposal of the dissociated ion is drawn out by molecular orbital analysis as to a proposed structure of the parent ion, analytical results about the proposal of the parent ion and the proposal of the dissociated ion are displayed, and the data of the proposed dissociated ion is compared with a data of an actually observed dissociated ion to evaluate the structure of the proposed parent ion. PCOPYRIGHT: (C)2004,JPO