Systems and Methods for Targeted Top Down Discovery

摘要

A system for analyzing a sample includes a chromatographic device, a mass resolving device, and a data processor. The chromatographic device is configured to separate components of the sample using a chromatographic column. The mass resolving device is configured to characterize mass spectrographic properties of the separated components in an intact state, and fragment the separated components and characterize mass spectrographic properties of the resulting fragments. The data processor is configured to average chromatographic and mass spectrographic properties from a plurality of mass chromatographic data sets, generate an inclusion list identifying components for fragmentation, instruct the chromatographic device to repeat the separation of the sample and instruct the mass resolving device to fragment the components and characterize the mass spectrographic properties of the fragments, and identify at least one component based on the mass spectrographic properties of the intact state and the corresponding fragments.

主权项

1. A system for analyzing a sample comprising:
a chromatographic device configured to separate components of the sample as a function of retention time within a chromatographic column; a mass resolving device including a first mass analyzer and second mass analyzer, the first mass analyzer being a different type of mass analyzer than the second mass analyzer, the mass resolving device configured to:
receive separated components from the chromatographic device;characterize mass spectrographic properties of a plurality of the separated components in an intact state; andfragment a plurality of the separated components and characterize mass spectrographic properties of a plurality of the resulting fragments; and a data processor configured to:
average chromatographic and mass spectrographic properties from a plurality of mass chromatographic data sets, a mass chromatographic data set including retention time information and mass spectrographic properties at at least one resolution of the mass resolving device for a plurality of intact components from a chromatographic separation, the plurality of mass chromatographic data sets includes a first mass chromatographic data set at a first mass resolution from the first mass analyzer and a second mass chromatographic data set at a second mass resolution from the second mass analyzer;generate an inclusion list identifying a plurality of components for fragmentation;instruct the chromatographic device to repeat the separation of the sample and instruct the mass resolving device to fragment the components of the inclusion list and characterize the mass spectrographic properties of the fragments; andidentify at least one component based on the mass spectrographic properties of the intact state and the corresponding fragments.