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

摘要: 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 GC-APCI–MS is certainly constrained lack spectral libraries, which make traditional approaches so powerful. Results: Here we present a concept GC-APCI–QqToF library. The library web-based, fully searchable and at moment includes spectra 150 compounds most common families. fragmentation pattern some families explained protocol for de novo identification been provided in order to facilitate unknown compounds. Conclusion: A now publicly available online.