Dataset

Trifloxystrobin CGA 321113; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU259604 contains the MS2 mass spectrum of Trifloxystrobin CGA 321113 with the InChIkey ISZQNKFXNXQTTF-NACSPRHISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12+,24-17+
SMILES CO\N=C(\C(O)=O)C1=CC=CC=C1CO\N=C(/C)C1=CC=CC(=C1)C(F)(F)F
InChI Key ISZQNKFXNXQTTF-NACSPRHISA-N
Molecular Formula C19H17F3N2O4
Exact Mass 394.114 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-AU259604
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MetadataPublished 2019-05-29
Related Molecule
  • (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID50892513 EPA CompTox Dashboard
    J2.517.040G Nikkaji
    FOMVOT CCDC
    SCHEMBL2792516 SureChEMBL
    22899348 PubChem
    The data in this table is sourced from UniChem at EBI.