Dataset

Azoxystrobin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU120802 contains the MS2 mass spectrum of Azoxystrobin with the InChIkey WFDXOXNFNRHQEC-GHRIWEEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
SMILES CO\C=C(\C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1
InChI Key WFDXOXNFNRHQEC-GHRIWEEISA-N
Molecular Formula C22H17N3O5
Exact Mass 403.117 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-LU120802
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MetadataPublished 2020-08-19
Related Molecule
  • methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07401 drugbank
    CHEBI:40909 chebi
    AZO rcsb_pdb
    CHEMBL230001 chembl
    18823 surechembl
    29362394 surechembl
    3034285 pubchem
    NYH7Y08IPM fdasrs
    PD005287 probes_and_drugs
    WINTIX CCDC
    25430 brenda
    51184414 bindingdb
    Molport-005-932-928 molport
    The data in this table is sourced from UniChem at EBI.