US 11,112,391 B2
Mass spectrometric data processing device for qualitative analysis
Kengo Maeda, Kyoto (JP); Tomohiro Kawase, Kyoto (JP); Yutaro Yamamura, Kyoto (JP); and Tomoomi Hoshi, Kyoto (JP)
Assigned to SHIMADZU CORPORATION, Kyoto (JP)
Appl. No. 15/762,818
Filed by SHIMADZU CORPORATION, Kyoto (JP)
PCT Filed Sep. 25, 2015, PCT No. PCT/JP2015/077047
§ 371(c)(1), (2) Date Sep. 19, 2018,
PCT Pub. No. WO2017/051468, PCT Pub. Date Mar. 30, 2017.
Prior Publication US 2019/0011410 A1, Jan. 10, 2019
Int. Cl. G01N 30/86 (2006.01); G01N 27/62 (2021.01); G01N 27/70 (2006.01); G06K 9/00 (2006.01); H01J 49/00 (2006.01); G01N 30/72 (2006.01); G01N 27/626 (2021.01)
CPC G01N 30/8679 (2013.01) [G01N 27/626 (2013.01); G01N 27/70 (2013.01); G06K 9/0053 (2013.01); H01J 49/0036 (2013.01); G01N 30/72 (2013.01); G01N 30/86 (2013.01)] 6 Claims
OG exemplary drawing
 
1. A mass spectrometric device for determining a substance contained in a sample, the mass spectrometric device comprising:
a mass spectrometer configured to perform mass spectrometric analysis on the sample to obtain data of the sample;
a mass spectrometer data processing device configured to perform qualitative analysis for qualitatively determining the substance contained in the sample based on the data, the mass spectrometer data processing device comprising:
a) a spectrum creator for creating a mass spectrum corresponding to a target substance in the sample based on the data obtained by the mass spectrometer through the mass spectrometric analysis;
b) an index value calculator for determining a signal intensity value at each of two mass-to-charge ratios previously determined for a specific substance in the mass spectrum corresponding to the target substance created by the spectrum creator, and for calculating a ratio or difference between the two signal intensity values as a first index value; and
c) a similarity index calculator for calculating, as a second index value, a degree of similarity in a peak pattern between a mass spectrum corresponding to the target substance and a mass spectrum corresponding to the specific substance; and
d) an index value evaluator for evaluating a possibility that the target substance is the specific substance, by comparing the first index value calculated by the index value calculator with a predetermined reference value or reference-value range, in response to the second index value calculated by the similarity index calculator being lower than a first threshold value and greater than a second threshold value.