Dataset

4-Methylbenzylidene camphor; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU245201 contains the MS2 mass spectrum of 4-Methylbenzylidene camphor with the InChIkey HEOCBCNFKCOKBX-UHFFFAOYSA-N.

Chemical Information

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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU245201
Version
Author
Maintainer
Language
MetadataPublished 2019-04-05
Related Molecule
  • 1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    83091 surechembl
    37563 pubchem
    PD030672 probes_and_drugs
    HMDB0246209 hmdb
    Molport-006-147-715 molport
    The data in this table is sourced from UniChem at EBI.