Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H19BrO5/c1-24-17-10-15(21(27-4)13-8-6-5-7-12(13)17)20(23)14-9-18(25-2)19(26-3)11-16(14)22/h5-11H,1-4H3
SMILES COc1cc(c(cc1OC)Br)C(=O)c1cc(OC)c2c(c1OC)cccc2
InChI Key ANVMBMPZHQGFLK-UHFFFAOYSA-N
Molecular Formula C21H19BrO5
Exact Mass 431.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ANVMBMPZHQGFLK-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/ANVMBMPZHQGFLK-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (2-bromo-4,5-dimethoxyphenyl)-(1,4-dimethoxynaphthalen-2-yl)methanone
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035840 PubChem
    UYUDIE CCDC
    The data in this table is sourced from UniChem at EBI.