Agilent Confirming the Presence of Drugs of Abuse in Samples Using an LC/Ion Trap Mass Spectrometer a Nearly 400 Drugs Compound Library Containing MS2 MS3 Spectra
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In this work, a collision energy ramp is used in conjunction with an ion trap mass spectrometer to generate reproducible product ion spectra. For the purpose of identifying compounds in real samples, the generation of product ion spectra in those samples is also carried out using ramped collision energy. The process of confirmation includes the generating of compound spectra in the sample data, followed by NIST- based scoring of Fit, Reverse Fit, and Purity matching of library spectra. Searching of the MS spectra is not included because matrix interferences can result in poor scoring. Besides, the precursor ion spectra search is also not included because the search may result in overlapping with other compounds.