公开(公告)号：US09989505B2

公开(公告)日：2018-06-05

申请号：US14212480

申请日：2014-03-14

Applicant: Smiths Detection Inc.

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

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

CPC classification number: G01N30/8675 ,  G01N30/7206 ,  G01N30/8686 ,  G06F19/703

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.

公开(公告)号：US20160047782A1

公开(公告)日：2016-02-18

申请号：US14776921

申请日：2014-03-14

Applicant: SMITHS DETECTION INC.

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

IPC: G01N30/86 ,  G01N30/72

CPC classification number: G01N30/8675 ,  G01N30/7206 ,  G01N30/8686 ,  G06F19/703

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.

Abstract translation: 系统包括气相色谱仪，其配置用于确定实验色谱数据，包括与样品相关的保留时间。 该系统还包括配置用于确定与样品相关联的实验质谱数据的质谱仪。 质谱仪可以包括使用非经典检测技术的四极场离子阱。 该系统基于校准样品和未知样品的保留时间确定未知样品的保留指数，并使用保留指数识别参考质谱数据。 参考质谱数据可以包括使用经典检测技术测量的光谱。 该系统可以使用一个或多个比较度量（例如百分比匹配和/或方差匹配）将实验质谱数据与参考质谱数据进行比较。 可以确定得分以使用一个或多个度量来识别未知样本。

公开(公告)号：US20140260536A1

公开(公告)日：2014-09-18

申请号：US14212480

申请日：2014-03-14

Applicant: Smiths Detection Inc.

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

IPC: G01N30/86 ,  G01N30/72

CPC classification number: G01N30/8675 ,  G01N30/7206 ,  G01N30/8686 ,  G06F19/703

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.

Abstract translation: 系统包括气相色谱仪，其配置用于确定实验色谱数据，包括与样品相关的保留时间。 该系统还包括配置用于确定与样品相关联的实验质谱数据的质谱仪。 质谱仪可以包括使用非经典检测技术的四极场离子阱。 系统。 基于校准样品和未知样品的保留时间确定未知样品的保留指数，并使用保留指数识别参考质谱数据。 参考质谱数据可以包括使用经典检测技术测量的光谱。 该系统可以使用一个或多个比较度量（例如百分比匹配和/或方差匹配）将实验质谱数据与参考质谱数据进行比较。 可以确定得分以使用一个或多个度量来识别未知样本。