Mass spectrometry data processing apparatus

Patent metadata

Field	Value
Publication number	US-2016092151-A1
Application number	US-201514847359-A
Country	US
Kind code	A1
Filing date	Sep 8, 2015
Priority date	Sep 30, 2014
Publication date	Mar 31, 2016
Grant date	—

Abstract

A mass spectrometry data processing apparatus having a function of displaying a plurality of MS n spectra in an arranged manner is allowed to display these MS n spectra in a state where a user can easily grasp presence or absence of a common neutral loss. A mass spectrometry data processing apparatus 20 that displays, on a display screen, an MS n spectrum resulting from mass spectrometric analysis of n−1 stage dissociation, where n is integer of two or more, of an ion, includes: a precursor ion identifying section 32 configured to identify, for each of a plurality of MS n spectra, a mass-to-charge ratios m/z of a precursor ion from which the MS n spectra are obtained; and a spectrum aligning section 33 configure to display the MS n spectra on the display screen in a vertically arranged manner such that positions of the mass-to-charge ratios m/z of the respective precursor ions are located at a same horizontal position of the display screen.

First claim

1 . A mass spectrometry data processing apparatus that displays, on a display screen, an MS n spectrum resulting from mass spectrometric analysis of n−1 stage dissociation, where n is an integer of two or larger of an ion and of mass spectrometric analysis, comprising:
a) a precursor ion identifying section configured to identify, for each of a plurality of MS n spectra, a mass-to-charge ratio m/z of a precursor ion from which the MS n spectra is obtained; and
b) a spectrum aligning section configured to display the plurality of MS n spectra on the display screen in a vertically arranged manner such that positions of the mass-to-charge ratios m/z of the respective precursor ions are located at a same horizontal position of the display screen.

2 . The mass spectrometry data processing apparatus according to claim 1 , further comprising
c) a spectrum scaling section configured to scale up or down at least one of the MS n spectra in an abscissa direction so as to match a predetermined range of mass-to-charge ratio m/z in the MS n spectra in the horizontal direction on the display screen with each other.

3 . The mass spectrometry data processing apparatus according to claim 1 , further comprising
d) a precursor ion position identifier adding section configured to add a mark of each position of the mass-to-charge ratios m/z of the precursor ions to the respective MS n spectra displayed on the display screen.

4 . The mass spectrometry data processing apparatus according to claim 2 , further comprising
d) a precursor ion position identifier adding section configured to add a mark of each position of the mass-to-charge ratios m/z of the precursor ions to the respective MS n spectra displayed on the display screen.

5 . A mass spectrometry data processing apparatus that displays, on a display screen, an MS n spectrum resulting from mass spectrometric analysis of n−1 stage dissociation, where n is integer of two or more, of an ion, comprising:
a) a precursor ion identifying section configured to identify, for each of a plurality of MS n spectra, a mass-to-charge ratio m/z of a precursor ion from which the MS n spectra is obtained; and
b) an m/z converter section configured to convert m/z values of the mass-to-charge ratio in the respective MS n spectra into respective relative values with reference to positions of the mass-to-charge ratios m/z of the respective precursor ions.

6 . The mass spectrometry data processing apparatus according to claim 5 , further comprising
c) a spectrum aligning section configured to display the MS n spectra on the display screen in a vertically arranged manner such that positions of the mass-to-charge ratios m/z of the respective precursor ions identified by the precursor ion identifying section are located at a same horizontal position of the display screen.

7 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 1 .

8 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 2 .

9 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 3 .

10 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 4 .

11 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 5 .

12 . A non-transitory computer readable medium recording a program for causing a computer to function as each of the sections of the mass spectrometry data processing apparatus according to claim 6 .

Assignees

• Shimadzu Corp

Inventors

• Yasuda Hiroyuki
• Umemura Yoshikatsu
• Kageyama Tetsuya

Classifications

• G06T11/26 Primary

  Drawing of charts or graphs · CPC title

• H01J49/0036 Primary

  Step by step routines describing the handling of the data generated during a measurement · CPC title

• G06T2207/20072

  Graph-based image processing · CPC title

• G06T11/206

  Physics · mapped topic

• G06F3/14 Primary

  Digital output to display device {; Cooperation and interconnection of the display device with other functional units} · CPC title