Dataset

4-Formylaminoantipyrine; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL2311093978 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 CN1N(C(=O)C(=C1C)NC=O)c2ccccc2
InChI Key WSJBSKRPKADYRQ-UHFFFAOYSA-N
Molecular Formula C12H13N3O2
Exact Mass 231.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093978
Version
Author
Maintainer
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MetadataPublished 2023-11-09
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
    1071371 eMolecules
    1672-58-8 ACToR
    15464481 PubChem: Thomson Pharma
    SCHEMBL6812409 SureChEMBL
    MTBLC83526 Metabolights
    CB2876357 ChemicalBook
    USOBUA CCDC
    HY-133588 MedChemExpress
    DTXSID10168241 EPA CompTox Dashboard
    J61.595A Nikkaji
    HMDB0246429 Human Metabolome Database
    63DKU1M0XK FDA SRS
    ZINC000000301550 ZINC
    83526 ChEBI
    72666 PubChem
    MCULE-4865850721 Mcule
    The data in this table is sourced from UniChem at EBI.