Dataset

Promecarb; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01129803 contains the MS2 mass spectrum of Promecarb with the InChIkey DTAPQAJKAFRNJB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
SMILES CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
InChI Key DTAPQAJKAFRNJB-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01129803
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MetadataPublished 2023-04-27
Related Molecule
  • (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82096 chebi
    CHEMBL1076537 chembl
    121314 surechembl
    29895286 surechembl
    17516 pubchem
    1QRP20775S fdasrs
    28332 brenda
    Molport-003-933-475 molport
    The data in this table is sourced from UniChem at EBI.