Dataset

gamma-Undecalactone; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00260 contains the MS2 mass spectrum of gamma-Undecalactone with the InChIkey PHXATPHONSXBIL-JTQLQIEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m0/s1
SMILES CCCCCCC[C@@H](C1)OC(=O)C1
InChI Key PHXATPHONSXBIL-JTQLQIEISA-N
Molecular Formula C11H20O2
Exact Mass 184.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00260
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (5S)-5-heptyloxolan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    441644 PubChem
    14772803 PubChem: Thomson Pharma
    SCHEMBL333202 SureChEMBL
    60019212 NMRShiftDB
    ZINC000008221195 ZINC
    C08571 KEGG Ligand
    J566.140D Nikkaji
    PIWTUO CCDC
    10580 ChEBI
    The data in this table is sourced from UniChem at EBI.