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1. (WO2018042605) MASS SPECTROMETRY DATA PROCESSING DEVICE

Pub. No.:    WO/2018/042605    International Application No.:    PCT/JP2016/075724
Publication Date: Fri Mar 09 00:59:59 CET 2018 International Filing Date: Fri Sep 02 01:59:59 CEST 2016
IPC: G01N 27/62
Applicants: SHIMADZU CORPORATION
株式会社島津製作所
Inventors: IKEGAMI, Masahiro
池上 将弘
OGATA, Koretsugu
緒方 是嗣
Title: MASS SPECTROMETRY DATA PROCESSING DEVICE
Abstract:
In the present invention, in association with each of a variety of compounds, a compound list stored in an identification information storage unit 27 has, recorded therein, a theoretical mass, matrix types in which the compound can be detected, information about neutral losses that can occur, and the like. Meanwhile, in association with each of a variety of adduct ions, an adduct ion list has, recorded therein, a theoretical mass, matrix types in which the adduct can occur, and the like. When a user specifies a peak for compound searching on a mass spectrum, a compound candidate searching unit 23 extracts combination candidates on the basis of the degrees of matching between m/z values determined from combinations of the compounds in the compound list and adduct ions in the adduct ion list and the actually measured m/z value of the specified peak and narrows down the combinations using the matrix type used during measurement as a condition. A display processing unit 26 displays the search results as a list. For each of the listed compounds, the display processing unit also indicates whether an MS/MS spectrum corresponding to the compound is recorded in a library.