IP Library › Granted Patent US 10,488,376
Granted Patent B2
US 10,488,376 · App. 15/122,445 · Granted Nov 26, 2019

Data processing system and program for chromatograph mass spectrometer

Inventors: Manabu Shimomura (Kyoto, JP); Kaori Tanaka (Kyoto, JP)
Assignee: SHIMADZU CORPORATION
G01N30/8658G01N30/7233G01N30/8631G01N30/8675H01J49/0031H01J49/0036
View Patent ↗
Loading inventors, assignments & file history…
Monitor This Case
Get email alerts when status or documents change.
Order Certified Copies
Most orders are placed with the USPTO same day — all within 24 business hours.
Order via The Patent Place →
Pre-filled with this patent's details
Quick Facts
Patent No.
US 10,488,376
App. No.
15/122,445
Granted
Nov 26, 2019
Kind
B2
Abstract

In a chromatogram mass spectrometer's data processing system, if the intensity of a target peak originating from a target component at a target mass-to-charge ratio is equal to or higher than a threshold, the mass-to-charge ratio of a peak having a signal intensity lower than the threshold on the mass spectrum corresponding to the point in time where the target peak appears is designated as a correction mass-to-charge ratio. A mass spectrum at a point in time in the target peak where the signal intensity does not exceed the threshold is acquired. A sensitivity factor is calculated by dividing the strength at the target mass to-charge ratio on this mass spectrum by the strength at the correction mass to-charge ratio on the same spectrum. A mass chromatogram at the correction mass-to-charge ratio is created. This mass chromatogram is multiplied by the sensitivity factor to create a corrected mass chromatogram.

Claims (34)

1. A data processing system for a chromatograph mass spectrometer which creates a chromatogram based on a temporal change in a mass spectrum acquired over a mass-to-charge-ratio range including a target mass-to-charge ratio used for a quantitative determination of a target component, the system comprising:

a) a first mass chromatogram creator for creating a first mass chromatogram which shows a temporal change in a signal intensity at the target mass-to-charge ratio;

b) a correction mass-to-charge ratio designator for determining whether or not the signal intensity at a peak top of a target peak which is a peak corresponding to the target component on the first mass chromatogram is equal to or higher than a predetermined threshold, and for designating, as a correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a signal intensity lower than the predetermined threshold on a mass spectrum corresponding to an occurrence time of the aforementioned peak top if the signal intensity at the peak top is equal to or higher than the predetermined threshold;

c) a correction mass spectrum acquirer for acquiring a correction mass spectrum which is the mass spectrum at a point in time where the signal intensity does not exceed the threshold within the target peak;

d) a sensitivity factor calculator for calculating a sensitivity factor which is the signal intensity at the target mass-to-charge ratio on the correction mass spectrum divided by the signal intensity at the correction mass-to-charge ratio on the same correction mass spectrum;

e) a second mass chromatogram creator for creating a second mass chromatogram which shows a temporal change in the signal intensity at the correction mass-to-charge ratio; and

f) a corrected mass chromatogram creator for creating a corrected mass chromatogram by multiplying the second mass chromatogram by the sensitivity factor.

2. The data processing system for a chromatograph mass spectrometer according to claim 1 , wherein the correction mass-to-charge ratio designator designates, as the correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a highest signal intensity among peaks whose signal intensities are lower than the threshold.

3. A data processing system for a chromatograph mass spectrometer which creates a chromatogram based on a temporal change in a mass spectrum acquired over a mass-to-charge-ratio range including a target mass-to-charge ratio used for a quantitative determination of a target component, the system comprising:

a) a first mass chromatogram creator for creating a first mass chromatogram which shows a temporal change in a signal intensity at the target mass-to-charge ratio;

b) a correction mass-to-charge ratio designator for determining whether or not the signal intensity at a peak top of a target peak which is a peak corresponding to the target component on the first mass chromatogram is equal to or higher than a predetermined threshold, and for designating, as a correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a signal intensity lower than the predetermined threshold on a mass spectrum corresponding to an occurrence time of the aforementioned peak top if the signal intensity at the peak top is equal to or higher than the predetermined threshold;

c) a correction mass spectrum acquirer for acquiring a correction mass spectrum which is the mass spectrum at a point in time where the signal intensity does not exceed the threshold within the target peak;

d) a sensitivity factor calculator for calculating a sensitivity factor which is the signal intensity at the target mass-to-charge ratio on the correction mass spectrum divided by the signal intensity at the correction mass-to-charge ratio on the same correction mass spectrum;

e) a second mass chromatogram creator for creating a second mass chromatogram which shows a temporal change in the signal intensity at the correction mass-to-charge ratio;

f) a corresponding peak height/area calculator for calculating a height or area of a corresponding peak which is a peak appearing on the second mass chromatogram and at a same point in time as the target peak; and

g) a corrected peak height/area calculator for calculating a corrected peak height or corrected peak area by multiplying the height or area of the corresponding peak by the sensitivity factor.

4. The data processing system for a chromatograph mass spectrometer according to claim 3 , wherein the correction mass-to-charge ratio designator designates, as the correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a highest signal intensity among peaks whose signal intensities are lower than the threshold.

5. A non-transitory computer readable medium recording a program for a data processing system for a chromatogram mass spectrometer which creates a chromatogram based on a temporal change in a mass spectrum acquired over a mass-to-charge-ratio range including a target mass-to-charge ratio used for a quantitative determination of a target component, the program making a computer function as:

a) a first mass chromatogram creator for creating a first mass chromatogram which shows a temporal change in a signal intensity at the target mass-to-charge ratio;

b) a correction mass-to-charge ratio designator for determining whether or not the signal intensity at a peak top of a target peak which is a peak corresponding to the target component on the first mass chromatogram is equal to or higher than a predetermined threshold, and for designating, as a correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a signal intensity lower than the predetermined threshold on a mass spectrum corresponding to an occurrence time of the aforementioned peak top if the signal intensity at the peak top is equal to or higher than the predetermined threshold;

c) a correction mass spectrum acquirer for acquiring a correction mass spectrum which is the mass spectrum at a point in time where the signal intensity does not exceed the threshold within the target peak;

d) a sensitivity factor calculator for calculating a sensitivity factor which is the signal intensity at the target mass-to-charge ratio on the correction mass spectrum divided by the signal intensity at the correction mass-to-charge ratio on the same correction mass spectrum;

e) a second mass chromatogram creator for creating a second mass chromatogram which shows a temporal change in the signal intensity at the correction mass-to-charge ratio; and

f) a corrected mass chromatogram creator for creating a corrected mass chromatogram by multiplying the second mass chromatogram by the sensitivity factor.

6. The non-transitory computer readable medium recording a program according to claim 5 , wherein the correction mass-to-charge ratio designator designates, as the correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a highest signal intensity among peaks whose signal intensities are lower than the threshold.

7. A non-transitory computer readable medium recording a program for a data processing system for a chromatogram mass spectrometer which creates a chromatogram based on a temporal change in a mass spectrum acquired over a mass-to-charge-ratio range including a target mass-to-charge ratio used for a quantitative determination of a target component, the program making a computer function as:

a) a first mass chromatogram creator for creating a first mass chromatogram which shows a temporal change in a signal intensity at the target mass-to-charge ratio;

b) a correction mass-to-charge ratio designator for determining whether or not the signal intensity at a peak top of a target peak which is a peak corresponding to the target component on the first mass chromatogram is equal to or higher than a predetermined threshold, and for designating, as a correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a signal intensity lower than the predetermined threshold on a mass spectrum corresponding to an occurrence time of the aforementioned peak top if the signal intensity at the peak top is equal to or higher than the predetermined threshold;

c) a correction mass spectrum acquirer for acquiring a correction mass spectrum which is the mass spectrum at a point in time where the signal intensity does not exceed the threshold within the target peak;

d) a sensitivity factor calculator for calculating a sensitivity factor which is the signal intensity at the target mass-to-charge ratio on the correction mass spectrum divided by the signal intensity at the correction mass-to-charge ratio on the same correction mass spectrum;

e) a second mass chromatogram creator for creating a second mass chromatogram which shows a temporal change in the signal intensity at the correction mass-to-charge ratio;

f) a corresponding peak height/area calculator for calculating a height or area of a corresponding peak which is a peak appearing on the second mass chromatogram and at a same point in time as the target peak; and

g) a corrected peak height/area calculator for calculating a corrected peak height or corrected peak area by multiplying the height or area of the corresponding peak by the sensitivity factor.

8. The non-transitory computer readable medium recording a program according to claim 7 , wherein the correction mass-to-charge ratio designator designates, as the correction mass-to-charge ratio, a mass-to-charge ratio of a peak showing a highest signal intensity among peaks whose signal intensities are lower than the threshold.

Assignments (1)
ASSIGNMENT OF ASSIGNOR'S INTEREST Recorded Aug 30, 2016
From: SHIMOMURA, MANABU; TANAKA, KAORI
To: SHIMADZU CORPORATION
Reel/Frame 039581/0730 →
Continuity (1)
Related Publication 20170067865A1 · Mar 9, 2017