Mass Spectral Library of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites

Containing 7840 data sets, this work includes over 3300 data sets that are from metabolites, over 2300 from acetylated, and over 1000 from methylated compounds.

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The new 2007 version contains 7840 data sets, among which 1900 data sets have been revised or added. Over 3300 data sets are from metabolites, over 2300 from acetylated, over 1000 from methylated, over 700 from trimethylsilylated, over 400 from trifluoroacetylated, over 200 each from pentafluoropropionylated or heptafluorobutyrylated compounds. The available database formats include: Agilent Chemstation; NIST MSSEARCH; Finnigan GCQ, SSQ, TSQ, ICIS, INCOS, Iontrap, ITS40, Magnum; INCOS; PE Turbomass; Shimadzu QP-5000; Thermo Galactic SpectralID; Varian Saturn; VG Labbase, Masslab; Waters Masslynx; and, Xcalibur.