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US 2019/0317047 A1Published application
Chemical class compositions from collision cross-section fragment ions
AssigneeWaters Technologies Corporation
InventorsGiuseppe Astarita, Scott Geromanos
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Abstract
The present disclosure generally relates to methods for determining chemical class compositions present in a sample using collision cross-section fragment ion values.
Claims17
A method of using information obtained from collision cross-section (CCS) of fragment ion values to determine at least one chemical class composition of a sample, the method comprising:
- fragmenting the sample to generate a series of product ions;
- separating the product ions using ion-mobility mass spectrometry;
- obtaining CCS values of the product ions;
- and
- matching or correlating the CCS values of the product ions to pre-determined values.
2 more elements
A method of using information obtained from collision cross-section (CCS) of fragment ion values to determine at least one chemical class composition of a sample, the method comprising:
- separating sample precursor ions by ion-mobility mass spectrometry, fragmenting the precursor ions, and obtaining CCS values of the precursor ions;
- fragmenting sample precursor ions to generate a series of product ions, separating the product ions using ion-mobility mass spectrometry, and obtaining CCS values of the product ions;
- calculating a hash mass comprising a composite value consisting of a m/z value of the precursor ion, a m/z value of the product ion, the precursor ion CCS value and the product ion CCS value;
- and
- matching or correlating the hash mass to pre-determined values to determine the at least one chemical class composition of the sample.
2 more elements
Dependencies are inferred from the claim text.