Dataset

4-AMINO-ANTIPYRINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003244 contains the MS mass spectrum of 4-AMINO-ANTIPYRINE with the InChIkey RLFWWDJHLFCNIJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
SMILES CC(=C(N)1)N(C)N(c(c2)cccc2)C(=O)1
InChI Key RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Molecular Formula C11H13N3O
Exact Mass 203.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003244
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:59026 chebi
    CHEMBL1165011 chembl
    128544 surechembl
    2151 pubchem
    0M0B7474RA fdasrs
    PD000692 probes_and_drugs
    LOYXEE CCDC
    105431 brenda
    144121 brenda
    152508 brenda
    2305 brenda
    257534 brenda
    43416 brenda
    HMDB0246350 hmdb
    Molport-000-725-328 molport
    85515 bindingdb
    The data in this table is sourced from UniChem at EBI.