Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H22BrNO4/c1-13-10-20-22(29)17-6-4-5-7-18(17)23(30)25(20,12-14(13)2)24(31)19-11-16(27-15(3)28)8-9-21(19)26/h4-9,11,20H,10,12H2,1-3H3,(H,27,28)
SMILES CC(=O)Nc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br
InChI Key BBXGNCLCSRWQFG-UHFFFAOYSA-N
Molecular Formula C25H22BrNO4
Exact Mass 480.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BBXGNCLCSRWQFG-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/BBXGNCLCSRWQFG-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[4-bromo-3-(2,3-dimethyl-9,10-dioxo-4,9a-dihydro-1H-anthracene-4a-carbonyl)phenyl]acetamide
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035837 pubchem
    The data in this table is sourced from UniChem at EBI.