Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H22OS/c1-17-2-14-22(15-3-17)25(24)23-16-20-9-8-18-4-6-19(7-5-18)10-12-21(23)13-11-20/h2-7,11,13-16H,8-10,12H2,1H3/t25-/m0/s1
SMILES Cc1ccc(cc1)[S@](=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key UWJJRSBMVIAFBO-VWLOTQADSA-N
Molecular Formula C23H22OS
Exact Mass 346.485 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWJJRSBMVIAFBO-VWLOTQADSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/UWJJRSBMVIAFBO-VWLOTQADSA-N/CHMO0000563
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-11
Related Molecule
  • 5-[(S)-(4-methylphenyl)sulfinyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15748912 PubChem
    JAXCOB CCDC
    The data in this table is sourced from UniChem at EBI.