Online spectral library for GC-atmospheric pressure chemical ionization-ToF MS.
| Autor: | Pacchiarotta T; Centre for Proteomics & Metabolomics, Leiden University Medical Centre, Leiden, The Netherlands. t.pacchiarotta@lumc.nl, Derks RJ, Hurtado-Fernandez E, van Bezooijen P, Henneman A, Schiewek R, Fernández-Gutiérrez A, Carrasco-Pancorbo A, Deelder AM, Mayboroda OA |
|---|---|
| Jazyk: | angličtina |
| Zdroj: | Bioanalysis [Bioanalysis] 2013 Jun; Vol. 5 (12), pp. 1515-25. |
| DOI: | 10.4155/bio.13.116 |
| Abstrakt: | 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. |
| Databáze: | MEDLINE |
| Externí odkaz: |
|