Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries
Oberacher,H.; Reinstadler,V.; Kreidl,M.; Strays,M.A.; Hollender,J.; Schymanski,E.L.;
Tandem mass spectral databases are indispensable for fast and reliable compound identification in nontargeted analysis with liquid chromatography-high resolution tandem mass spectrometry (LC-HRMS/MS), which is applied to a wide range of scientific fields. While many articles now review and compare spectral libraries, in this manuscript we investigate two high-quality and specialized collections from our respective institutes, recorded on different instruments (quadrupole time-of-flight or QqTOF vs.
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