Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-14(16)11-12-15(13)17/h11-14,16H,2-10H2,1H3/t13-,14+/m1/s1
SMILES CCCCCCCCCC[C@@H]1[C@@H](O)C=CC1=O
InChI Key QASMSWCXGLQOPI-KGLIPLIRSA-N
Molecular Formula C15H26O2
Exact Mass 238.366 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QASMSWCXGLQOPI-KGLIPLIRSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/QASMSWCXGLQOPI-KGLIPLIRSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (4S,5R)-5-decyl-4-hydroxycyclopent-2-en-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416621 pubchem
    The data in this table is sourced from UniChem at EBI.