Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H25BrO5Si/c1-30-15-12-13-20(26)18(14-15)24(29)25-19(10-7-11-21(25)31-32(2,3)4)22(27)16-8-5-6-9-17(16)23(25)28/h5-9,11-14,19,21H,10H2,1-4H3/t19-,21+,25-/m0/s1
SMILES COc1ccc(c(c1)C(=O)[C@]12[C@@H](C=CC[C@H]1C(=O)c1c(C2=O)cccc1)O[Si](C)(C)C)Br
InChI Key SQYADLIMGXTCAJ-HWHXTQLESA-N
Molecular Formula C25H25BrO5Si
Exact Mass 513.452 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SQYADLIMGXTCAJ-HWHXTQLESA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/SQYADLIMGXTCAJ-HWHXTQLESA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (1R,4aR,9aS)-9a-(2-bromo-5-methoxybenzoyl)-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
    146035853 PubChem
    The data in this table is sourced from UniChem at EBI.