Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H36O2/c1-14(13-24)17-5-6-18-16-11-20(25-4)23-12-15(23)7-10-22(23,3)19(16)8-9-21(17,18)2/h13-20H,5-12H2,1-4H3/t14-,15-,16+,17-,18+,19+,20-,21-,22-,23+/m1/s1
SMILES O=C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]23[C@]1(C)CC[C@@H]3C2)OC)C
InChI Key AMHYNJZGKPXOOP-WGRYGTHWSA-N
Molecular Formula C23H36O2
Exact Mass 344.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AMHYNJZGKPXOOP-WGRYGTHWSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/AMHYNJZGKPXOOP-WGRYGTHWSA-N/CHMO0000563
Version
Author Nicolai Rosenbaum
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-16
Related Molecule
  • (2S)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propanal
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J634.490I Nikkaji
    12810968 PubChem
    15977040 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.