Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2
SMILES O=Cc1cc2CCc3ccc(CCc1cc2)cc3C=O
InChI Key MRXCZHLKRNMFEL-UHFFFAOYSA-N
Molecular Formula C18H16O2
Exact Mass 264.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0000563
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-07-25
Related Molecule
  • tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    UZINOH CCDC
    J1.361.515B Nikkaji
    13268507 PubChem
    The data in this table is sourced from UniChem at EBI.