Dataset

Bendiocarb; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU260603 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-Athens_Univ-AU260603
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MetadataPublished 2019-05-30
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
    2314 PubChem
    PD078877 ProbesDrugs
    QFH0ZU0A5U FDA SRS
    SCHEMBL22080 SureChEMBL
    15245143 PubChem: Thomson Pharma
    22781-23-3 ACToR
    509548 eMolecules
    20209682 NMRShiftDB
    17241 Brenda
    C14433 KEGG Ligand
    34556 ChEBI
    CHEMBL465018 ChEMBL
    50064618 BindingDB
    DTXSID9032327 EPA CompTox Dashboard
    ZINC000002015426 ZINC
    J3.469J Nikkaji
    HMDB0248947 Human Metabolome Database
    KUZRAZ CCDC
    The data in this table is sourced from UniChem at EBI.