Dataset

4-Formylaminoantipyrine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU200601 contains the MS2 mass spectrum of 4-Formylaminoantipyrine with the InChIkey WSJBSKRPKADYRQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
SMILES Cc1c(c(=O)n(n1C)c2ccccc2)/N=C/O
InChI Key WSJBSKRPKADYRQ-UHFFFAOYSA-N
Molecular Formula C12H13N3O2
Exact Mass 231.101 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-Athens_Univ-AU200601
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MetadataPublished 2015-12-03
Related Molecule
  • N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83526 chebi
    6812409 surechembl
    72666 pubchem
    63DKU1M0XK fdasrs
    PD213842 probes_and_drugs
    USOBUA CCDC
    HMDB0246429 hmdb
    Molport-001-822-419 molport
    The data in this table is sourced from UniChem at EBI.