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Bioanalysis. 2013 Jun;5(12):1515-25. doi: 10.4155/bio.13.116.

Online spectral library for GC-atmospheric pressure chemical ionization-ToF MS.

Author information

1
Centre for Proteomics & Metabolomics, Leiden University Medical Centre, Leiden, The Netherlands. t.pacchiarotta@lumc.nl

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.

PMID:
23795930
DOI:
10.4155/bio.13.116
[Indexed for MEDLINE]

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