Data · dataset · 2025
Data for: Application of the Expert Algorithm for Substance Identification (EASI) to Electron Ionization Mass Spectra of n-Alkanes from Different Instruments
Listed in Teesside University Research Data Repository
Excel spreadsheet of 3,303 mass spectra of n-alkanes ranging from nC8-nC30.
Description
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.
Links
Where it is published
- DOI doi.org/10.17632/24yygg4c7d.1 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science · Mass spectrometry
Provenance · 1 source records, 7 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/24yygg4c7d.1 | 15 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[modality].local:modality:mass-spectrometry | mapping · researchdata tees ac uk | vocabulary-mapper@1.0.0 | keywords['Mass Spectrometry'] |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |