Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C22H17BrO3/c1-13-10-11-22(21(26)16-8-4-5-9-18(16)23)17(12-13)19(24)14-6-2-3-7-15(14)20(22)25/h2-10,17H,11-12H2,1H3/t17-,22+/m0/s1
SMILES CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1Br
InChI Key UWSTXCXPGIGFCC-HTAPYJJXSA-N
Molecular Formula C22H17BrO3
Exact Mass 409.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWSTXCXPGIGFCC-HTAPYJJXSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/UWSTXCXPGIGFCC-HTAPYJJXSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-bromobenzoyl)-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
    146035851 PubChem
    The data in this table is sourced from UniChem at EBI.