Inconclusive-triggered reinjection for mass spectrometry screening
AssigneeThermo Finnigan LLC
InventorsXin Zheng, Deven Lee Shinholt
Life of this patent
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Abstract
Systems/techniques are provided for facilitating inconclusive-triggered reinjection for mass spectrometry screening. In various embodiments, a system can access a screening list specifying a plurality of target chemical compounds. In various aspects, the system can classify respective ones of the plurality of target chemical compounds as being present or absent in a sample, based on causing a chromatograph and mass spectrometer to perform on the sample an iterative injection protocol whose subsequent iterations are progressively compound-selective and triggered by inconclusive presence or absence classifications from prior iterations.
Claims20
A system, comprising:
- a chromatograph coupled to a mass spectrometer;
- and
- a processor that executes computer-executable components stored in a non-transitory computer-readable memory, wherein the computer-executable components comprise:
- an access component that accesses a screening list specifying a plurality of target chemical compounds;
- and
- a screening component that classifies respective ones of the plurality of target chemical compounds as being present or absent in a sample, based on causing the chromatograph and mass spectrometer to perform on the sample an iterative injection protocol whose subsequent iterations are progressively compound-selective and triggered by inconclusive presence or absence classifications from prior iterations.
A computer-implemented method, comprising:
- accessing, by a device operatively coupled to a processor, a screening list specifying a plurality of target chemical compounds;
- and
- classifying, by the device, respective ones of the plurality of target chemical compounds as being present or absent in a sample, based on causing a chromatograph and mass spectrometer to perform on the sample an iterative injection protocol whose subsequent iterations are progressively compound-selective and triggered by inconclusive presence or absence classifications from prior iterations.
A computer program product for facilitating inconclusive-triggered reinjection for mass spectrometry screening, the computer program product comprising a non-transitory computer-readable memory having program instructions embodied therewith, the program instructions executable by a processor to cause the processor to:
- establish electronic communication with a gas chromatograph and a mass spectrometer, the gas chromatograph and mass spectrometer being loaded with an analytical sample;
- retrieve a screening list that specifies one or more hazardous chemical compounds that are not permitted to be in the analytical sample;
- and
- respectively classify the one or more hazardous chemical compounds as being present or absent in the analytical sample, based on causing the gas chromatograph and mass spectrometer to perform on the analytical sample an iterative injection protocol whose subsequent iterations are progressively compound-selective and triggered by inconclusive presence or absence classifications from prior iterations.
Dependencies are inferred from the claim text.