Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H21BrO5/c1-13-8-9-24(23(28)16-11-19(29-2)20(30-3)12-18(16)25)17(10-13)21(26)14-6-4-5-7-15(14)22(24)27/h4-8,11-12,17H,9-10H2,1-3H3/t17-,24+/m0/s1
SMILES COc1cc(c(cc1OC)Br)C(=O)[C@]12CC=C(C[C@H]1C(=O)c1c(C2=O)cccc1)C
InChI Key PWQZDRACEZLJRD-BXKMTCNYSA-N
Molecular Formula C24H21BrO5
Exact Mass 469.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWQZDRACEZLJRD-BXKMTCNYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/PWQZDRACEZLJRD-BXKMTCNYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-bromo-4,5-dimethoxybenzoyl)-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
    146035848 PubChem
    The data in this table is sourced from UniChem at EBI.