Dataset

Zearalenone; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000288 contains the MS2 mass spectrum of Zearalenone with the InChIkey MBMQEIFVQACCCH-QBODLPLBSA-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/b7-3+/t12-/m0/s1
SMILES C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O
InChI Key MBMQEIFVQACCCH-QBODLPLBSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000288
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (4S,12E)-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
    CHEBI:10106 chebi
    LMPK04000016 lipidmaps
    ZER rcsb_pdb
    CHEMBL454173 chembl
    29354213 surechembl
    33754 surechembl
    5281576 pubchem
    5W827M159J fdasrs
    ZEARLN CCDC
    16728 brenda
    Molport-001-017-582 molport
    50247676 bindingdb
    The data in this table is sourced from UniChem at EBI.