Dataset

Ofurace; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128713 contains the MS2 mass spectrum of Ofurace with the InChIkey OWDLFBLNMPCXSD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
SMILES CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
InChI Key OWDLFBLNMPCXSD-UHFFFAOYSA-N
Molecular Formula C14H16ClNO3
Exact Mass 281.082 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-EQ01128713
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MetadataPublished 2023-04-27
Related Molecule
  • 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82792 chebi
    20511 surechembl
    42850 pubchem
    E42Y2VBK3D fdasrs
    Molport-003-933-681 molport
    The data in this table is sourced from UniChem at EBI.