Mass spectrometric system

Patent metadata

Field	Value
Publication number	US-9287105-B2
Application number	US-201313760284-A
Country	US
Kind code	B2
Filing date	Feb 6, 2013
Priority date	Mar 2, 2012
Publication date	Mar 15, 2016
Grant date	Mar 15, 2016

Abstract

There is a tendency of the intensity and the shape of a spectrum to be measured transitioning with the passage of measured time, depending on the volatility and the reactivity of a component. A mass spectrometric system includes: a mass spectrometric unit that measures a specimen and outputs a mass spectrum; and an estimator that has an estimation rule on content information, the estimation rule being assigned to each component and each measurement time. The estimator estimates, based on a mass spectrum output from the mass spectrometric unit, content information on each component of a plurality of components that may be contained in the specimen in accordance with the estimation rule.

First claim

What is claimed is:

1. A mass spectrometric system, comprising:
a mass spectrometric unit that measures a specimen and outputs a mass spectrum; and
an estimator that has an estimation rule on content information, the estimation rule being assigned to each component of a plurality of components that may be contained in the specimen and each measurement time of a plurality of measurement times, each of which is a time elapsed from a start of a measurement of the specimen,
wherein
the estimator estimates, based on a mass spectrum output from the mass spectrometric unit, content information on each component in accordance with the estimation rule,
the estimation rule is defined as

res
⁡

(

t
,
i
,
a

)

==

{

Positive

if
⁢

⁢

∑

j
=
1

L

⁢

g_j
⨯

I_j

I_r
⁢
_j

>

TH
⁡

(

t
,
i
,
a

)

,

Negative

otherwise
,

where
t is a measurement time,
i is a component,
a is a measurement operation,
res (t, i, a) is the content information indicating an existence determination result,
j is an index corresponding to a marker such that the magnitude of a peak is stored at the intensity of the marker,
L is the number of markers,
I_j is the intensity of the marker j corresponding to the magnitude of a peak,
g — 1, . . . , g_L are a marker coefficient set,
r — 1, . . . , r_L are m/z of a reference material set, where m is mass and z is charge number,
I_r — 1, . . . , I_r_L are intensities of m/z of the reference material, and
TH (t, i, a) is a threshold, and
an output of the estimator is the content information including a logical value indicating whether a concentration of a target component exceeds a threshold concentration or not.

2. The mass spectrometric system according to claim 1 , further comprising:
an estimation rule presentation user interface that presents the estimation rule on content information on each component and each measurement time.

3. The mass spectrometric system according to claim 2 , wherein
the estimation rule presentation user interface accepts an input of the estimation rule on content information on each component and each measurement time.

4. The mass spectrometric system according to claim 1 , further comprising:
an integration estimation unit assigned to each component,
wherein
the integration estimation unit integrates estimation results on content information of a plurality of measurement times, each estimation result including content information relating to a component of the specimen for a measurement time and being output from the estimator, and
the integration estimation unit outputs the integrated estimation result.

5. The mass spectrometric system according to claim 4 ,
wherein
a certainty weight corresponds to each component and each measurement time, and
the integration estimation unit integrates estimation results that are output from the estimator in accordance with the certainty weight.

6. The mass spectrometric system according to claim 5 , further comprising a measurement operation decision unit that decides a measurement operation at each measurement time on a basis of the certainty weight, wherein
the mass spectrometric unit executes a measurement operation output from the measurement operation decision unit.

7. The mass spectrometric system according to claim 1 , further comprising:
a mass spectrum database that stores a mass spectrum with a corresponding measurement time; and
an estimation rule learning unit that learns a parameter of an estimator corresponding to each component and each measurement time on a basis of the mass spectrum database.

8. The mass spectrometric system according to claim 7 , further comprising: a certainty weight learning unit that learns certainty weight that is a value in accordance with a probability that estimation by the estimator becomes correct.

9. The mass spectrometric system according to claim 1 , further comprising:
a specimen acquisition time input unit that accepts an input of an elapsed time from specimen acquisition or a specimen acquisition time, wherein
the specimen acquisition time input unit corrects a measurement time on a basis of the elapsed time from specimen acquisition or the specimen acquisition time.

Assignees

• Hitachi High Tech Corp

Inventors

• Kawaguchi Yohei
• Hashimoto Yuichiro
• Sugiyama Masuyuki
• Kumano Shun
• Kaneko Akihito
• Togami Masahito
• Nishimura Kazushige
• Inoue Hiroyuki

Classifications

• H01J49/0031

  Step by step routines describing the use of the apparatus (H01J49/0081 takes precedence) · CPC title

• H01J49/26 Primary

  Mass spectrometers or separator tubes · CPC title

• H01J49/0036 Primary

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