US Patent No. 11,112,391

MASS SPECTROMETRIC DATA PROCESSING DEVICE FOR QUALITATIVE ANALYSIS


Patent No. 11,112,391
Issue Date September 07, 2021
Title Mass Spectrometric Data Processing Device For Qualitative Analysis
Inventorship Kengo Maeda, Kyoto (JP)
Tomohiro Kawase, Kyoto (JP)
Yutaro Yamamura, Kyoto (JP)
Tomoomi Hoshi, Kyoto (JP)
Assignee SHIMADZU CORPORATION, Kyoto (JP)

Claim of US Patent No. 11,112,391


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.