Data for: Application of the Expert Algorithm for Substance Identification (EASI) to Electron Ionization Mass Spectra of n-Alkanes from Different Instruments
Abstract
Excel spreadsheet of 3,303 mass spectra of n-alkanes ranging from nC8-nC30. The spectra were collected on 4 different different GC-MS instruments; three of which were Agilent and one of which was a Perkin Elmer. This data can be used to test mass spectral algorithms for the identification of spectrally similar substances in the absence of chromatographic data. The spectra contain variance within instruments (caused by time) and variance between instruments.
Publication details
- Journal / source
- Mendeley Data
- Publication date
- 1 January 2026
- Document type
- Dataset