Dataset

Antipyrine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227304 contains the MS2 mass spectrum of Antipyrine with the InChIkey VEQOALNAAJBPNY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES Cc1cc(=O)n(n1C)c2ccccc2
InChI Key VEQOALNAAJBPNY-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.095 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-Athens_Univ-AU227304
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Maintainer
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MetadataPublished 2018-12-19
Related Molecule
  • 1,5-dimethyl-2-phenylpyrazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-9945022433 Mcule
    antipyrine DailyMed
    HMDB0015503 Human Metabolome Database
    CB8200943 ChemicalBook
    2206 PubChem
    60020645 NMRShiftDB
    PD002469 ProbesDrugs
    T3CHA1B51H FDA SRS
    LSM-3038 LINCS
    antipyrene Recon
    14797281 PubChem: Thomson Pharma
    123175-91-7 ACToR
    SCHEMBL20452 SureChEMBL
    PA448453 PharmGKB
    antipyrine Selleck
    60-80-0 ACToR
    DB01435 DrugBank
    CHEMBL277474 ChEMBL
    31225 ChEBI
    C13244 KEGG Ligand
    ANTPYR CCDC
    J2.340J Nikkaji
    ZINC000000061044 ZINC
    861 DrugCentral
    50103600 BindingDB
    DTXSID6021117 EPA CompTox Dashboard
    HY-B0171 MedChemExpress
    ANTIPYRINE clinicaltrials
    PHENAZONE clinicaltrials
    ANTIPYRINE DailyMed
    ANTIPYRINE rxnorm
    478166 eMolecules
    The data in this table is sourced from UniChem at EBI.