Dataset

Azoxystrobin acid; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU203108 contains the MS2 mass spectrum of Azoxystrobin acid with the InChIkey IKCXDZCEWZARFL-FOWTUZBSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+
SMILES CO\C=C(\C(O)=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
InChI Key IKCXDZCEWZARFL-FOWTUZBSSA-N
Molecular Formula C21H15N3O5
Exact Mass 389.101 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-AU203108
Version
Author
Maintainer
Language
MetadataPublished 2016-02-26
Related Molecule
  • (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL435486 SureChEMBL
    66685656 PubChem
    J2.686.981A Nikkaji
    83496 ChEBI
    MTBLC83496 Metabolights
    ZINC000113828494 ZINC
    DTXSID10891507 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.