Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C29H27NO/c1-31-27-17-15-23(16-18-27)28-19-25-14-12-22-9-7-21(8-10-22)11-13-24(28)20-29(25)30-26-5-3-2-4-6-26/h2-10,15-20,30H,11-14H2,1H3
SMILES COc1ccc(cc1)c1cc2CCc3ccc(CCc1cc2Nc1ccccc1)cc3
InChI Key GDEMPLUYTWNHBE-UHFFFAOYSA-N
Molecular Formula C29H27NO
Exact Mass 405.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDEMPLUYTWNHBE-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/GDEMPLUYTWNHBE-UHFFFAOYSA-N/CHMO0000563
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-04
Related Molecule
  • 15-(4-methoxyphenyl)-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166451842 pubchem
    The data in this table is sourced from UniChem at EBI.