Pacchiarotta, Tiziana , Derks, Rico J. E. , HURTADO FERNÁNDEZ, ELENA, van Bezooijen, Pauline , Henneman, Alex , Schiewek, Ralf , Fernandez-Gutierrez, Alberto , Carrasco-Pancorbo, Alegria , Deelder, Andre M. , Mayboroda, Oleg A.
Si
Bioanalysis
Article
Científica
3.027
0.775
01/06/2013
000330725000014
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.