Dataset

4-Methylbenzylidene camphor

This MassBank record with Accession MSBNK-Athens_Univ-AU245205 contains the MS2 mass spectrum of 4-Methylbenzylidene camphor with the InChIkey HEOCBCNFKCOKBX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3
SMILES CC1=CC=C(C=C2C3CCC(C)(C2=O)C3(C)C)C=C1
InChI Key HEOCBCNFKCOKBX-UHFFFAOYSA-N
Molecular Formula C18H22O
Exact Mass 254.167 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU245205
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:16.212605
MetadataModified 2024-01-11T09:49:16.364057
MetadataPublished 2019-04-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9243201396 Mcule
37563 PubChem
MolPort-006-147-715 MolPort
25686720 eMolecules
PD030672 ProbesDrugs
HMDB0246209 Human Metabolome Database
ENZACAMENE DailyMed
ENZACAMENE rxnorm
METHYL BENZYLIDENE CAMPHOR clinicaltrials
ENZACAMENE clinicaltrials
ENZACAMENE D-L FORM clinicaltrials
4-METHYLBENZYLIDENE CAMPHOR clinicaltrials
CHEMBL4297074 ChEMBL
The data in this table is sourced from UniChem at EBI.