Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1
SMILES CCCCCCCCCC[C@@]1(O)[C@@H](O)C=CC1=O
InChI Key MKKDUMSLKJQOTQ-DZGCQCFKSA-N
Molecular Formula C15H26O3
Exact Mass 254.365 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKKDUMSLKJQOTQ-DZGCQCFKSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/MKKDUMSLKJQOTQ-DZGCQCFKSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (4S,5R)-5-decyl-4,5-dihydroxycyclopent-2-en-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416622 PubChem
    The data in this table is sourced from UniChem at EBI.