Dataset

6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU079502 contains the MS2 mass spectrum of 6-Pentyl-2H-pyran-2-one with the InChIkey MAUFTTLGOUBZNA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
SMILES CCCCCC1=CC=CC(=O)O1
InChI Key MAUFTTLGOUBZNA-UHFFFAOYSA-N
Molecular Formula C10H14O2
Exact Mass 166.099 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU079502
Version
Author
Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • 6-pentylpyran-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    66729 ChEBI
    DTXSID0047589 EPA CompTox Dashboard
    ZINC000001663619 ZINC
    J47.697H Nikkaji
    CB9282766 ChemicalBook
    CHEMBL503899 ChEMBL
    MCULE-5618749422 Mcule
    MTBLC66729 Metabolights
    HMDB0031085 Human Metabolome Database
    33960 PubChem
    15147101 PubChem: Thomson Pharma
    60061854 NMRShiftDB
    27593-23-3 ACToR
    SCHEMBL968257 SureChEMBL
    8JTW8HL4PJ FDA SRS
    596079 eMolecules
    The data in this table is sourced from UniChem at EBI.