Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1
SMILES Ic1ccccc1C(=O)[C@]12[C@H](O[Si](C(C)(C)C)(C)C)C(=CC[C@H]1C(=O)c1c(C2=O)cccc1)C
InChI Key POVDWLXJRBXEJQ-OEQAEZTDSA-N
Molecular Formula C28H31IO4Si
Exact Mass 586.533 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/POVDWLXJRBXEJQ-OEQAEZTDSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/POVDWLXJRBXEJQ-OEQAEZTDSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (1R,4aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-9a-(2-iodobenzoyl)-2-methyl-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
    146035826 PubChem
    UYUZOG CCDC
    The data in this table is sourced from UniChem at EBI.