Dataset

4-Acetamidoantipyrin; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF408202 contains the MS2 mass spectrum of 4-Acetamidoantipyrin 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(NC(C)=O)=C1C)C1=CC=CC=C1
InChI Key OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Molecular Formula C13H15N3O2
Exact Mass 245.116 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-UFZ-UF408202
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MetadataPublished 2017-01-05
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.