Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H23BrO5/c1-13-9-18-22(27)15-7-5-6-8-16(15)23(28)25(18,12-14(13)2)24(29)17-10-20(30-3)21(31-4)11-19(17)26/h5-8,10-11,18H,9,12H2,1-4H3
SMILES COc1cc(c(cc1OC)Br)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C
InChI Key FDOSUKYERHQQQO-UHFFFAOYSA-N
Molecular Formula C25H23BrO5
Exact Mass 483.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDOSUKYERHQQQO-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/FDOSUKYERHQQQO-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 9a-(2-bromo-4,5-dimethoxybenzoyl)-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
    146035833 PubChem
    The data in this table is sourced from UniChem at EBI.