Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)15(17)18/h2-14H2,1H3,(H,17,18)
SMILES CCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key RGEZTMBESFPREL-UHFFFAOYSA-N
Molecular Formula C16H30O4
Exact Mass 286.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGEZTMBESFPREL-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/RGEZTMBESFPREL-UHFFFAOYSA-N/Mass/EI
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:08:23.269766
MetadataModified 2024-09-07T13:38:33.166710
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20435827 PubChem
SCHEMBL2456649 SureChEMBL
The data in this table is sourced from UniChem at EBI.