Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1
SMILES CCCCCCCC[C@@H]1[C@@H](O)C=CC1=O
InChI Key YVUMNOUOTTWTRW-NEPJUHHUSA-N
Molecular Formula C13H22O2
Exact Mass 210.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YVUMNOUOTTWTRW-NEPJUHHUSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/YVUMNOUOTTWTRW-NEPJUHHUSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (4S,5R)-4-hydroxy-5-octylcyclopent-2-en-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416627 PubChem
    The data in this table is sourced from UniChem at EBI.