Dataset

Kresoxim-methyl; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU263905 contains the MS2 mass spectrum of Kresoxim-methyl with the InChIkey ZOTBXTZVPHCKPN-ZPHPHTNESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17-
SMILES CO\N=C(/C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1
InChI Key ZOTBXTZVPHCKPN-ZPHPHTNESA-N
Molecular Formula C18H19NO4
Exact Mass 313.131 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-AU263905
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MetadataPublished 2019-05-30
Related Molecule
  • methyl (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2268524 ChEMBL
    SCHEMBL12920836 SureChEMBL
    5483874 PubChem
    J1.641.072A Nikkaji
    J588.356C Nikkaji
    J1.157.567F Nikkaji
    ZINC000000900704 ZINC
    15720292 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.