Dataset

4-Formyl-antipyrine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF410704 contains the MS2 mass spectrum of 4-Formyl-antipyrine with the InChIkey QFYZFYDOEJZMDX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES CN1N(C(=O)C(C=O)=C1C)C1=CC=CC=C1
InChI Key QFYZFYDOEJZMDX-UHFFFAOYSA-N
Molecular Formula C12H12N2O2
Exact Mass 216.090 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-UF410704
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MetadataPublished 2017-01-05
Related Molecule
  • 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70371 PubChem
    950-81-2 ACToR
    16903625 PubChem: Thomson Pharma
    479636 eMolecules
    MCULE-5870576732 Mcule
    SCHEMBL680008 SureChEMBL
    CHEMBL1705468 ChEMBL
    J298.557H Nikkaji
    DTXSID10241720 EPA CompTox Dashboard
    177038 ChEBI
    ZINC000000119347 ZINC
    CB2349899 ChemicalBook
    The data in this table is sourced from UniChem at EBI.