Combining Fragment-Ion and Neutral-Loss Matching during Mass Spectral Library Searching: A New General Purpose Algorithm Applicable to Illicit Drug Identification - Moorthy, Arun S; Wallace, William E; Kearsley, Anthony J; Tchekhovskoi, Dmitrii V; Stein, Stephen E (Analytical chemistry (Washington), 2017)
Keywords: Algorithms; Chemical compounds; chemical derivatives; Chemistry; designer drugs; Drugs; Fragmentation; illicit drugs; Illicit Drugs - analysis; Ions; Ions - chemistry; Libraries; Mass spectrometry; Matching; moieties; Molecular Structure; Molecular Weight; Nearest-neighbor; Organic chemistry; Queries; Search algorithms; Search Engine; Similarity; Spectra; Tandem Mass Spectrometry