Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1
SMILES O=C(N([C@H]([C@@H](c1ccccc1)O)C)C)Nc1cc2ccc1CCc1ccc(CC2)cc1
InChI Key YTZBFOBFIWZWGZ-SIBVEZHUSA-N
Molecular Formula C27H30N2O2
Exact Mass 414.539 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YTZBFOBFIWZWGZ-SIBVEZHUSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/YTZBFOBFIWZWGZ-SIBVEZHUSA-N/CHMO0000563
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)urea
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394341 pubchem
    The data in this table is sourced from UniChem at EBI.