Dataset

ZON; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU597032 contains the MS2 mass spectrum of ZON with the InChIkey MBMQEIFVQACCCH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3
SMILES CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI Key MBMQEIFVQACCCH-UHFFFAOYSA-N
Molecular Formula C18H22O5
Exact Mass 318.147 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-Athens_Univ-AU597032
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MetadataPublished 2020-04-11
Related Molecule
  • 16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    125462 ChEBI
    ZEARLN CCDC
    HMDB0258416 Human Metabolome Database
    165628 PubChem
    PD048076 ProbesDrugs
    MCULE-8442311118 Mcule
    SCHEMBL588842 SureChEMBL
    The data in this table is sourced from UniChem at EBI.