Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3
SMILES CC(=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key BMIQCMMQLWBYIU-UHFFFAOYSA-N
Molecular Formula C18H18O
Exact Mass 250.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMIQCMMQLWBYIU-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/BMIQCMMQLWBYIU-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:41:06.627219
MetadataModified 2024-09-07T19:57:07.464697
MetadataPublished 2021-06-11
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1079965 eMolecules
MCULE-4887082613 Mcule
ZINC000003123047 ZINC
SCHEMBL2440685 SureChEMBL
PICNUK CCDC
J1.060.350A Nikkaji
3506592 PubChem
16156828 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.