Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H20BrNO4/c1-13-9-10-24(23(30)18-12-15(26-14(2)27)7-8-20(18)25)19(11-13)21(28)16-5-3-4-6-17(16)22(24)29/h3-9,12,19H,10-11H2,1-2H3,(H,26,27)/t19-,24+/m0/s1
SMILES CC(=O)Nc1ccc(c(c1)C(=O)[C@]12CC=C(C[C@H]1C(=O)c1c(C2=O)cccc1)C)Br
InChI Key YMLGBYYTIHVWRB-YADARESESA-N
Molecular Formula C24H20BrNO4
Exact Mass 466.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMLGBYYTIHVWRB-YADARESESA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/YMLGBYYTIHVWRB-YADARESESA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[3-[(4aR,9aR)-2-methyl-9,10-dioxo-4,9a-dihydro-1H-anthracene-4a-carbonyl]-4-bromophenyl]acetamide
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035838 PubChem
    The data in this table is sourced from UniChem at EBI.