发明名称 |
MASS SPECTROMETRY (MS) IDENTIFICATION ALGORITHM |
摘要 |
A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics. |
申请公布号 |
CA2906720(A1) |
申请公布日期 |
2014.09.18 |
申请号 |
CA20142906720 |
申请日期 |
2014.03.14 |
申请人 |
SMITHS DETECTION INC. |
发明人 |
SADOWSKI, CHARLES S.;ANDERSSON, GREGER;JUDGE, KEVIN |
分类号 |
G01N30/72;G01N30/04 |
主分类号 |
G01N30/72 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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