This article reports on the features of and importance of the Inverted Library Search Algorithm for Mixture Analysis.
Identifying mixture components is a well-known challenge in analytical chemistry. The Inverted Library Search Algorithm is a recently proposed method for identifying mixture components, using in-source collision induced dissociation (is-CID) mass spectra of a query mixture and a reference library of pure compound is-CID mass spectra (J. Am. Soc. Mass Spectrom. 2021, 32 (7), 1725−1734). This article presents several subtle but important advances to the algorithm, including updated compound matching strategies that improve result explainability and spectral filtering to better handle noisy mass spectra as is often observed with real-world samples such as seized drug evidence. (Published abstract provided)
Downloads
Similar Publications
- Dynamic Models of Illegal Behavior
- Characterization and classification of organic gunshot residue from neat smokeless powder, cartridge cases, and the hands of known shooters
- Comparison of a comprehensive liquid chromatography-quadrupole time-of-flight-mass spectrometry (LC-QTOF-MS) screen in whole blood with conventional immunoassay-based techniques