Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H17BrF3NO4/c1-12-8-9-23(17(10-12)19(30)14-4-2-3-5-15(14)20(23)31)21(32)16-11-13(6-7-18(16)25)29-22(33)24(26,27)28/h2-8,11,17H,9-10H2,1H3,(H,29,33)/t17-,23+/m0/s1
SMILES CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1cc(ccc1Br)NC(=O)C(F)(F)F
InChI Key CYVQCLLXOPONSH-GAJHUEQPSA-N
Molecular Formula C24H17BrF3NO4
Exact Mass 520.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYVQCLLXOPONSH-GAJHUEQPSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/CYVQCLLXOPONSH-GAJHUEQPSA-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]-2,2,2-trifluoroacetamide
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035847 PubChem
    The data in this table is sourced from UniChem at EBI.