Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H16O5/c1-4-20-15(17)9-7-10-12(18-2)5-6-13(19-3)14(10)11(16)8-9/h5-8,16H,4H2,1-3H3
SMILES CCOC(=O)c1cc(O)c2c(c1)c(OC)ccc2OC
InChI Key XVQNEMDNKDNWOX-UHFFFAOYSA-N
Molecular Formula C15H16O5
Exact Mass 276.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XVQNEMDNKDNWOX-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/XVQNEMDNKDNWOX-UHFFFAOYSA-N/Mass/EI
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:06:13.198848
MetadataModified 2024-09-07T13:35:18.071758
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16228689 PubChem: Thomson Pharma
DTXSID10457026 EPA CompTox Dashboard
ZINC000038303689 ZINC
J1.228.930H Nikkaji
11150062 PubChem
The data in this table is sourced from UniChem at EBI.