Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H18O4/c1-21-11-7-8-12(22-2)16-15(11)17(19)13-9-3-5-10(6-4-9)14(13)18(16)20/h3,5,7-10,13-14H,4,6H2,1-2H3
SMILES COc1ccc(c2c1C(=O)C1C3CCC(C1C2=O)C=C3)OC
InChI Key JGJSEAVAUZJOSF-UHFFFAOYSA-N
Molecular Formula C18H18O4
Exact Mass 298.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JGJSEAVAUZJOSF-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/JGJSEAVAUZJOSF-UHFFFAOYSA-N/Mass/EI.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:21:32.770338
MetadataModified 2024-09-07T13:47:58.493381
MetadataPublished 2014-08-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77050803 PubChem
The data in this table is sourced from UniChem at EBI.