Patent ID: 11927575
Assignee: FRONTIER LABORATORIES LTD.
Field: Measurement (Instruments)
Classification: CPC G  H | IPC G

Claim 4:
5. A content determination assistance method of assisting a user in determining whether a known compound is contained in a current sample, the content determination assistance method being executed by a computer comprising: a recording unit configured to record, for each known compound, characteristic mass spectrum data which is information including a plurality of characteristic mass spectra which are characteristic mass spectra of a standard sample among mass spectra included in known-compound mass spectrum data which is time series data of the mass spectra at predetermined time intervals, the mass spectra being detected by a pyrolysis Gas Chromatography/Mass Spectrometry (GC/MS) analysis of the standard sample of the known compound, a characteristic retention time (RT) which is a time when each of the characteristic mass spectra is detected or a characteristic retention index (RI) obtained by indexing the time by a predetermined method, and mass-to-charge ratio (m/z) values of characteristic ions included in each of the characteristic mass spectra,
the content determination assistance method comprising:
a first acquisition process of acquiring current-sample mass spectrum data which is information including the time series data of the mass spectra of the current sample at the predetermined time intervals, the time series data of the mass spectra of the current sample being collected in a same manner as the known-compound mass spectrum data, and information obtained by indexing times when respective mass spectra are detected or by indexing the times by the predetermined method;
a recognition process of recognizing the known compound subject to determination based on information for specifying the known compound subject to determination, the known compound subject to determination being subjected to determination whether to be contained in the current sample;
a second acquisition process of acquiring, from the recording unit, the m/z values of respective characteristic ions and the characteristic RT or the characteristic RI, for each of the characteristic mass spectra relating to the recognized known compound subject to determination;
an extraction process of extracting, from the current-sample mass spectrum data, a plurality of corresponding current-sample mass spectra which are mass spectra detected in predetermined periods including RTs corresponding to the characteristic RTs or RIs corresponding to the characteristic RIs, respectively, based on the characteristic RTs or the characteristic RIs acquired by the second acquisition process;
a detection process of detecting, from the plurality of corresponding current-sample mass spectra extracted by the extraction process, a high intensity mass spectrum in each of the predetermined periods, the high intensity mass spectrum being a corresponding current-sample mass spectrum in which ion intensity in the mass spectra forming a peak included in a mass chromatogram is higher by a predetermined degree, in a case where the mass chromatogram is drawn based on the mass spectra extracting the mass spectra of the m/z values of the respective characteristic ions acquired by the second acquisition process among the mass spectra included in each corresponding current-sample mass spectrum, and a similarity to the characteristic mass spectrum corresponding to the corresponding current-sample mass spectrum is higher by a predetermined degree; and
a concordance degree output process of outputting a degree of concordance between the mass spectra of the known compound subject to determination and the mass spectra of the current sample using the plurality of characteristic mass spectra relating to the known compound subject to determination and the high-intensity mass spectra detected by the detection process in the respective predetermined periods.