Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H21BrO4/c1-13-10-19-21(26)16-6-4-5-7-17(16)22(27)24(19,12-14(13)2)23(28)18-11-15(29-3)8-9-20(18)25/h4-9,11,19H,10,12H2,1-3H3
SMILES COc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br
InChI Key UKTGPOJWCWJQMV-UHFFFAOYSA-N
Molecular Formula C24H21BrO4
Exact Mass 453.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UKTGPOJWCWJQMV-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/UKTGPOJWCWJQMV-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 9a-(2-bromo-5-methoxybenzoyl)-2,3-dimethyl-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035839 PubChem
    The data in this table is sourced from UniChem at EBI.