Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H25IO4Si/c1-15-13-14-19-21(27)16-9-5-6-10-17(16)22(28)25(19,24(15)30-31(2,3)4)23(29)18-11-7-8-12-20(18)26/h5-13,19,24H,14H2,1-4H3/t19-,24-,25-/m0/s1
SMILES Ic1ccccc1C(=O)[C@]12[C@@H](O[Si](C)(C)C)C(=CC[C@H]1C(=O)c1c(C2=O)cccc1)C
InChI Key WPGXNUFGNKCCCZ-LQGLAIQGSA-N
Molecular Formula C25H25IO4Si
Exact Mass 544.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WPGXNUFGNKCCCZ-LQGLAIQGSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/WPGXNUFGNKCCCZ-LQGLAIQGSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (1S,4aR,9aS)-9a-(2-iodobenzoyl)-2-methyl-1-trimethylsilyloxy-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035816 PubChem
    UYUGAZ CCDC
    The data in this table is sourced from UniChem at EBI.