Dataset

4-Acetamidoantipyrine; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094642 contains the MS2 mass spectrum of 4-Acetamidoantipyrine with the InChIkey OIAGWXKSCXPNNZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
SMILES CN1N(C(=O)C(=C1C)NC(C)=O)c2ccccc2
InChI Key OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Molecular Formula C13H15N3O2
Exact Mass 245.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094642
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83513 chebi
    CHEMBL1831257 chembl
    5050992 surechembl
    65743 pubchem
    535H9N144Z fdasrs
    PD212639 probes_and_drugs
    HOMDOC CCDC
    HMDB0246326 hmdb
    Molport-000-205-113 molport
    The data in this table is sourced from UniChem at EBI.