Online Spectral Library for Gc-Atmospheric Pressure Chemical Ionization–ToF MS

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.

Financial & competing interests disclosure

This work was supported by the Stichting Tropische Geneeskunde, Leiden, The Netherlands. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.

No writing assistance was utilized in the production of this manuscript.

Ethical conduct of research

The authors state that they have obtained appropriate institutional review board approval or have followed the principles outlined in the Declaration of Helsinki for all human or animal experimental investigations. In addition, for investigations involving human subjects, informed consent has been obtained from the participants involved.

Acknowledgements

The authors would like to thank R Marissen for technical support.

Additional information

Funding

This work was supported by the Stichting Tropische Geneeskunde, Leiden, The Netherlands. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.