Dataset

Butafenacil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000140 contains the MS2 mass spectrum of Butafenacil with the InChIkey JEDYYFXHPAIBGR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
SMILES C=CCOC(=O)C(C)(C)OC(=O)c(c(Cl)2)cc(cc2)N(C(=O)1)C(=O)N(C)C(=C1)C(F)(F)F
InChI Key JEDYYFXHPAIBGR-UHFFFAOYSA-N
Molecular Formula C20H18ClF3N2O6
Exact Mass 474.081 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000140
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1867342 ChEMBL
    J1.647.113E Nikkaji
    DTXSID9034365 EPA CompTox Dashboard
    YOCYEX CCDC
    143863 ChEBI
    CB4304674 ChemicalBook
    DB15261 DrugBank
    134605-64-4 ACToR
    7Z141CCP2R FDA SRS
    PD121984 ProbesDrugs
    16943558 PubChem: Thomson Pharma
    31216810 eMolecules
    143698 Brenda
    ZINC000002563961 ZINC
    11826859 PubChem
    SCHEMBL39148 SureChEMBL
    The data in this table is sourced from UniChem at EBI.