Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H19BrO4/c1-13-9-10-23(22(27)17-12-14(28-2)7-8-19(17)24)18(11-13)20(25)15-5-3-4-6-16(15)21(23)26/h3-9,12,18H,10-11H2,1-2H3/t18-,23+/m0/s1
SMILES COc1ccc(c(c1)C(=O)[C@]12CC=C(C[C@H]1C(=O)c1c(C2=O)cccc1)C)Br
InChI Key XQBNRFKTLBHETJ-FDDCHVKYSA-N
Molecular Formula C23H19BrO4
Exact Mass 439.299 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQBNRFKTLBHETJ-FDDCHVKYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/XQBNRFKTLBHETJ-FDDCHVKYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-bromo-5-methoxybenzoyl)-3-methyl-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
    146035850 PubChem
    The data in this table is sourced from UniChem at EBI.