Dataset

Picoxystrobin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258401 contains the MS2 mass spectrum of Picoxystrobin with the InChIkey IBSNKSODLGJUMQ-SDNWHVSQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
SMILES CO\C=C(\C(=O)OC)C1=CC=CC=C1COC1=CC=CC(=N1)C(F)(F)F
InChI Key IBSNKSODLGJUMQ-SDNWHVSQSA-N
Molecular Formula C18H16F3NO4
Exact Mass 367.103 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-AU258401
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MetadataPublished 2019-05-29
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL522759 ChEMBL
    HY-136355 MedChemExpress
    252968 Brenda
    J1.596.744G Nikkaji
    DTXSID9047542 EPA CompTox Dashboard
    11285653 PubChem
    ZINC000034872909 ZINC
    PD157625 ProbesDrugs
    62DH7GEL1P FDA SRS
    16625479 PubChem: Thomson Pharma
    117428-22-5 ACToR
    83197 ChEBI
    SCHEMBL18977 SureChEMBL
    CB7343458 ChemicalBook
    The data in this table is sourced from UniChem at EBI.