Online spectral library for GC-atmospheric pressure chemical ionization–ToF MS. (June 2013)

• Record Type: Journal Article
• Authors: Pacchiarotta, Tiziana; Derks, Rico JE; Hurtado-Fernandez, Elena; van Bezooijen, Pauline; Henneman, Alex; Schiewek, Ralf; Fernández-Gutiérrez, Alberto; Carrasco-Pancorbo, Alegría; Deelder, André M; Mayboroda, Oleg A
• Is Part Of: Bioanalysis. Volume 5:Number 12(2013)
• Page Start: 1515
• Page End: 1525
• Publication Date: 2013-06
• Subjects: Drugs -- Analysis -- Periodicals; 615.19005
• DOI: 10.4155/bio.13.116
• Languages: English
• ISSNs: 1757-6180

Abstract

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.