| Title | Online spectral library for GC-atmospheric pressure chemical ionization-ToF MS |
|---|---|
| Authors | 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. |
| External publication | Si |
| Means | Bioanalysis |
| Scope | Article |
| Nature | Científica |
| JCR Quartile | 1 |
| SJR Quartile | 1 |
| JCR Impact | 3.027 |
| SJR Impact | 0.775 |
| Publication date | 01/06/2013 |
| ISI | 000330725000014 |
| DOI | 10.4155/BIO.13.116 |
| 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. |
| Universidad Loyola members |
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