Dataset

Azoxystrobin acid

This MassBank record with Accession MSBNK-Athens_Univ-AU203105 contains the MS2 mass spectrum of Azoxystrobin acid with the InChIkey IKCXDZCEWZARFL-FOWTUZBSSA-N.

Chemical Info

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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:43:33.884284
MetadataModified 2024-01-11T09:43:34.046860
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL435486 SureChEMBL
J2.686.981A Nikkaji
DTXSID10891507 EPA CompTox Dashboard
83496 ChEBI
66685656 PubChem
ZINC000113828494 ZINC
MTBLC83496 Metabolights
The data in this table is sourced from UniChem at EBI.