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1. (WO2018037569) MASS-SPECTROMETRY-IMAGING-DATA PROCESSING DEVICE AND METHOD

Pub. No.:    WO/2018/037569    International Application No.:    PCT/JP2016/075094
Publication Date: Fri Mar 02 00:59:59 CET 2018 International Filing Date: Sat Aug 27 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-IMAGING-DATA PROCESSING DEVICE AND METHOD
Abstract:
In the present invention, a user designates regions of interest (ROIs), such as a region believed to contain a large amount of a compound the user wants to identify and a region where the compound and another compound overlap, on one or a plurality of specific MS imaging images and instructs that the ROIs be added or subtracted. Then, for each designated ROI, an average MS/MS spectrum is calculated from the MS/MS spectrum data for each measurement point included in the region, and an MS/MS spectrum resulting from addition or subtraction of the average MS/MS spectrums of the ROIs is calculated. ROI addition makes it possible to enhance the intensity of a peak originating from a target compound. Meanwhile, ROI subtraction makes it possible to remove peaks originating from other compounds overlapping the target compound. Identifying the target compound by using the MS/MS spectrum resulting from this addition or subtraction for library searching increases spectral similarity scores compared to the prior art and makes it possible to enhance identification accuracy.