Dataset

Bendiocarb; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF402403 contains the MS2 mass spectrum of Bendiocarb with the InChIkey XEGGRYVFLWGFHI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
SMILES CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2
InChI Key XEGGRYVFLWGFHI-UHFFFAOYSA-N
Molecular Formula C11H13NO4
Exact Mass 223.084 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-UFZ-UF402403
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34556 chebi
    CHEMBL465018 chembl
    22080 surechembl
    27847663 surechembl
    2314 pubchem
    QFH0ZU0A5U fdasrs
    PD078877 probes_and_drugs
    KUZRAZ CCDC
    17241 brenda
    HMDB0248947 hmdb
    50300438 bindingdb
    Molport-003-665-458 molport
    The data in this table is sourced from UniChem at EBI.