公开(公告)号：US10041915B2

公开(公告)日：2018-08-07

申请号：US14776921

申请日：2014-03-14

Applicant: Smiths Detection Inc.

Inventor： CHarles S. Sadowski ,  Greger Andersson ,  Kevin Judge

IPC: G01N31/00 ,  G01N30/86 ,  G01N30/72 ,  G06F19/00

Abstract: 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.