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Bioanalysis ; 5(12): 1515-25, 2013 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-23795930

RESUMO

BACKGROUND: Invented more than three decades ago by Horning, GC-MS under atmospheric pressure chemical ionization (GC-APCI-MS) has only recently emerged from years of obscurity. However, the general acceptance of GC-APCI-MS is certainly constrained by the lack of spectral libraries, which make the traditional GC-MS approaches so powerful. RESULTS: Here we present a concept of a GC-APCI-QqToF spectral library. The library is web-based, fully searchable and at moment includes spectra of 150 compounds from the most common chemical families. The fragmentation pattern of some chemical families is explained and a protocol for de novo identification has been provided in order to facilitate the identification of unknown compounds. CONCLUSION: A library for GC-APCI-QqToF is now publicly available online.


Assuntos
Cromatografia Gasosa-Espectrometria de Massas/métodos , Acetamidas/química , Pressão Atmosférica , Carboidratos/análise , Feminino , Fluoracetatos/química , Humanos , Hidroxilaminas/química , Ácido Palmítico/análise , Piridinas/química , Compostos de Trimetilsilil/química
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