Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H9BrO3/c18-14-8-4-3-7-12(14)17(21)13-9-15(19)10-5-1-2-6-11(10)16(13)20/h1-9H
SMILES Brc1ccccc1C(=O)C1=CC(=O)c2c(C1=O)cccc2
InChI Key UANJEQXEUPIUPS-UHFFFAOYSA-N
Molecular Formula C17H9BrO3
Exact Mass 341.156 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UANJEQXEUPIUPS-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/UANJEQXEUPIUPS-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 2-(2-bromobenzoyl)naphthalene-1,4-dione
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    86055257 pubchem
    UYUCOJ CCDC
    The data in this table is sourced from UniChem at EBI.