Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C30H50O/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-23-17-27(31-7)30-18-22(30)13-16-29(30,6)26(23)14-15-28(24,25)5/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+/t20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1
SMILES CC[C@@H](C(C)C)/C=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 AQOBCZGNYIDKIJ-CEXMQFLDSA-N
Molecular Formula C30H50O
Exact Mass 426.717 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQOBCZGNYIDKIJ-CEXMQFLDSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/AQOBCZGNYIDKIJ-CEXMQFLDSA-N/CHMO0000563
Version
Author Nicolai Rosenbaum
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-16
Related Molecule
  • (1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14235841 PubChem
    J1.299.275K Nikkaji
    16655908 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.