Dataset

Phenmedipham; LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V

This MassBank record with Accession MSBNK-MSSJ-MSJ02229 contains the MS2 mass spectrum of Phenmedipham with the InChIkey IDOWTHOLJBTAFI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
SMILES COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChI Key IDOWTHOLJBTAFI-UHFFFAOYSA-N
Molecular Formula C16H16N2O4
Exact Mass 300.111 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-MSSJ-MSJ02229
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Maintainer
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MetadataPublished 2022-03-14
Related Molecule
  • [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81734 chebi
    CHEMBL1079421 chembl
    29516822 surechembl
    54580 surechembl
    24744 pubchem
    UJE31KXP78 fdasrs
    PD187893 probes_and_drugs
    KIFZAA CCDC
    252981 brenda
    HMDB0256405 hmdb
    Molport-001-804-702 molport
    50311785 bindingdb
    The data in this table is sourced from UniChem at EBI.