Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H16O4/c1-8(2)16-12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
SMILES COc1cc(ccc1OC)C(=O)OC(C)C
InChI Key OFZYIRUQJKZFKA-UHFFFAOYSA-N
Molecular Formula C12H16O4
Exact Mass 224.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OFZYIRUQJKZFKA-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/OFZYIRUQJKZFKA-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:30:34.824429
MetadataModified 2024-09-07T14:01:55.048708
MetadataPublished 2015-05-13
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL478272 ChEMBL
58101877 PubChem: Thomson Pharma
SCHEMBL799903 SureChEMBL
25267131 PubChem
The data in this table is sourced from UniChem at EBI.