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Mass Spectral and GC Data of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites 2007
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 Mass Spectral and GC Data of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites 2007
Product Information
The Mass Spectral and GC Data of Drugs, Poisons, Pesticides, Pollutants and Their Metabolites 2007 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.
Compound Classes
Acaricides, Alcohol deterrents, Alkaloids, Anabolics, Analgesics/Antiphlogistics, Deuterated Analytical standards, Androgens, Anesthetics, Anorectics, Anthelmintics, Antiamebics, Antiandrogens, Antiarrhythmics, Antibiotics, Anticholesteremics, Anticoagulants, Anticonvulsants, Antidepressants, Antidiabetics, Antidiarrheals, Antidotes, Antiemetics, Antiestrogens, Antifreezes (Glycols), Antihistamines, Antihypertensives, Antimalarials, Antimigraines, Antimycotics, Antineoplastics, Antioxidants, Antiparkinsonians, Antirheumatics, Antiseptics, Antispasmotics, Antitussives, Beta-Blockers, Biomolecules, Bronchodilators, Ca Antagonists, Chemicals, Coronary dilators, Corticoids, Counterirritant, Derivatizing agents, Dermatics, Designer drugs, Disinfectants, Diuretics, Emetics, Estrogens, Expectorants, Fatty acids, Flavors, Fungicides, Gestagens, Heat transfer agents, Herbicides, Hydrocarbons, Hypnotics, Ingredients of tar, Insecticides, Laxatives, Local anesthetics, Molluscicides, Muscle relaxants, Neuroleptics, Parasympatholytics, Parasympathomimetics, Pesticides, Plant ingredients, Plasticizers, Pollutants, Potent analgesics, Potent antitussives, Preservatives, Psychedelics, Refrigerants, Rodenticides, Rubber additives, Rubefacients, Scabicides, Sedatives, Serotonin antagonists, Softeners, Solvents, Stimulants, Sugars, Sugar alcohols, Sweeteners, Sympathomimetics, Thrombocyte aggregation, Thyreostatics, Toccolytics, Tranquilizers, Tuberculostatics, Uricosurics, Urinary antiseptics, UV Absorbers, Vasoconstrictors, Vasodilators, Virustatics, Vitamins.
Additional information
Compound names:
The international non-proprietary names for drugs (INN), the common names for pesticides and the chemical names for chemicals are used. If necessary, a synonym index, should be consulted. If the compound is a common metabolite or derivative of several parent compounds, then all known parent compounds are given.
Structure:
The formulas are redrawn in the molefile format allowing their use in electronic databases. They are zoomed to fit the available space. Formulas of metabolites or artifacts are those of their probable structures. If the position of a substituent is unknown, the substituent is fixed with a tilde. Unknown substituents are named 'R'.
Empirical formula
Molecular mass:
The molecular masses were calculated from the atomic masses of the most abundant isotopes.
Retention index:
The RIs were measured by GC-MS on methyl silicone capillary columns using a temperature program. The RIs of compounds with an asterisk (*) are not detectable by nitrogen-selective flame-ionization detection (N-FID).
Detected:
The compound could be detected in the given samples after the given sample preparation. These data have been evaluated from about 80 000 clinical and forensic cases.
CAS Registry Number:
The Registry Number of the Chemical Abstracts Services (CAS) is given here. If only derivatives or metabolites of a compound were included in this handbook, the CAS number of the corresponding parent compound with the prefix '#' is given.
Recorded from:
Type of sample from which the spectrum was recorded. If the spectrum was recorded from samples of biological origin, it should be taken into consideration that fragment ions from sample impurities may be present in the spectrum. With experience, it is possible to decide whether these ions can be ignored.
Categories:
The major pharmacological category is given.
Details about the Additional Information including abbreviations are given in the Print version.
Market
Toxicologists; Clinical Chemists; Environmental Chemists; Spectroscopists; Forensic Scientists; Hospitals; Investigating Authorities
Available Database Formats
ACD/Labs; Agilent Chemstation; NIST MSSEARCH; Finnigan GCQ, SSQ, TSQ, ICIS, INCOS, Iontrap, ITS40, Magnum; PerkinElmer TurboMass; Shimadzu QP-5000; Thermo Galactic SpectralID; Varian Saturn; VG Labbase, Masslab; Waters Masslynx; Xcalibur
Editors
Karl Pfleger (middle) was appointed head of the Department of Toxicology at the Saarland University in Homburg/Saar, Germany, in 1967. In the late 1970s he developed, together with his PhD student Hans H. Maurer, novel analysis procedures for identification and quantification of drugs, poisons and their metabolites in body samples. They introduced mass spectrometry as the gold standard into clinical and forensic toxicology. In 1985, they published the first edition of their unique handbook of GC and MS data together with Armin A. Weber (left), who was and is responsible for all technical and software developments, including the mass spectral database that was developed from the printed collection. In 1987, Karl Pfleger received the Jean-Servais Stas Medal of the Gesellschaft für Toxikologische und Forensische Chemie (GTFCh). In 1992, Karl Pfleger retired and Hans H. Maurer became his successor as professor and head of the department. His main areas of research are analytical toxicology (GC-MS, LC-MS) and metabolism of xenobiotics. He has published over 130 original papers and 20 invited reviews. He has received several scientific awards, including the Young Investigator Award of the Homburg Medical Faculty in 1983, the Irving Sunshine Award for Outstanding Contributions to Clinical Toxicology of the International Association of Therapeutic Drug Monitoring and Clinical Toxicology (IATDMCT) in 1997, the Alan Curry Lifetime Achievement Award of The International Association of Forensic Toxicologists (TIAFT) for Outstanding Contributions to Forensic Toxicology in 2003, and the Doctor honoris causa title of the University of Ghent in 2007. He is the current President of IATDMCT (since 2007), councillor of TIAFT (since 2005) and treasurer of GTFCh (since 1987).
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