Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18(21)17(19)20/h2-16H2,1H3,(H,19,20)
SMILES CCCCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key JSGQQGNVTXXNQN-UHFFFAOYSA-N
Molecular Formula C18H34O4
Exact Mass 314.460 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSGQQGNVTXXNQN-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/JSGQQGNVTXXNQN-UHFFFAOYSA-N/Mass/EI
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:51:18.670691
MetadataModified 2024-09-07T13:13:03.769307
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
22608939 PubChem
SCHEMBL2456609 SureChEMBL
The data in this table is sourced from UniChem at EBI.