Creating and Using LC/MS/MS Libraries

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Forensic Toxicology

Mass spectral libraries are a valuable tool for the rapid identification of unknown compounds in a sample. Mass spectra provide both compound molecular weight and fragmentation information. This paper describes the process of creating both LC/MS and LC/MS/MS libraries for use on Waters' single and tandem quadrupole mass spec instruments. Details on the use of LC/MS(/MS) libraries for sample screening for unknown compounds and the corroboration or exclusion of compounds tentatively identified from a previous analysis are also included.

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