Dataset

gamma-Dodecalactone; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00054 contains the MS2 mass spectrum of gamma-Dodecalactone with the InChIkey WGPCZPLRVAWXPW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
SMILES CCCCCCCCC(C1)OC(=O)C1
InChI Key WGPCZPLRVAWXPW-UHFFFAOYSA-N
Molecular Formula C12H22O2
Exact Mass 198.162 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-FIO00054
Version
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Maintainer
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MetadataPublished 2016-01-19
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    YX9N4581LU FDA SRS
    143727 ChEBI
    50168008 BindingDB
    CB3427330 ChemicalBook
    35889 Brenda
    42659 Brenda
    42650 Brenda
    13914 Brenda
    HMDB0031683 Human Metabolome Database
    197676 Brenda
    197687 Brenda
    16821 PubChem
    60019127 NMRShiftDB
    14797456 PubChem: Thomson Pharma
    SCHEMBL111041 SureChEMBL
    2305-05-7 ACToR
    474418 eMolecules
    MTBLC143727 Metabolights
    The data in this table is sourced from UniChem at EBI.