Dataset

Imazamethabenz-methyl; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+

This MassBank record with Accession MSBNK-KWR-KW106301 contains the MS2 mass spectrum of Imazamethabenz-methyl with the InChIkey FFCCBBNQPIMUJI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)
SMILES COC(=O)c1ccc(C)cc1C2=NC(=O)C(C)(N2)C(C)C
InChI Key FFCCBBNQPIMUJI-UHFFFAOYSA-N
Molecular Formula C16H20N2O3
Exact Mass 288.147 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-KWR-KW106301
Version
Author
Maintainer
Language
MetadataPublished 2017-03-12
Related Molecule
  • methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:138132 chebi
    CHEMBL3186163 chembl
    543577 surechembl
    54744 pubchem
    BEE251846T fdasrs
    HMDB0034913 hmdb
    DTXSID70274059 comptox
    Molport-003-930-643 molport
    The data in this table is sourced from UniChem at EBI.