Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF408302 contains the MS2 mass spectrum of 4-Aminoantipyrin 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 CN1N(C(=O)C(N)=C1C)C1=CC=CC=C1
InChI Key RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Molecular Formula C11H13N3O
Exact Mass 203.106 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF408302
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MetadataPublished 2017-01-05
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
    1274462 bindingdb
    1334309 bindingdb
    178937 bindingdb
    178983 bindingdb
    178984 bindingdb
    50236416 bindingdb
    50236419 bindingdb
    50708058 bindingdb
    50708059 bindingdb
    Molport-000-725-328 molport
    The data in this table is sourced from UniChem at EBI.