Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C20H17BrO4/c1-23-12-8-9-17(21)15(10-12)19(22)16-11-18(24-2)13-6-4-5-7-14(13)20(16)25-3/h4-11H,1-3H3
SMILES COc1c(cc(c2c1cccc2)OC)C(=O)c1cc(OC)ccc1Br
InChI Key ISSAVWGYAUZPDS-UHFFFAOYSA-N
Molecular Formula C20H17BrO4
Exact Mass 401.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISSAVWGYAUZPDS-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/ISSAVWGYAUZPDS-UHFFFAOYSA-N/CHMO0000473
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (2-bromo-5-methoxyphenyl)-(1,4-dimethoxynaphthalen-2-yl)methanone
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035831 PubChem
    UYUCID CCDC
    The data in this table is sourced from UniChem at EBI.