Dataset

Amidopyrine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001350 contains the MS mass spectrum of Amidopyrine with the InChIkey RMMXTBMQSGEXHJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
SMILES CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
InChI Key RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Molecular Formula C13H17N3O
Exact Mass 231.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001350
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD001715 ProbesDrugs
    SCHEMBL26293 SureChEMBL
    LSM-20000 LINCS
    15019234 PubChem: Thomson Pharma
    144574-10-7 ACToR
    amidopyrine Selleck
    58-15-1 ACToR
    537453 eMolecules
    HMDB0015493 Human Metabolome Database
    PA164748135 PharmGKB
    CB1476086 ChemicalBook
    148192 Brenda
    MCULE-1554715918 Mcule
    6009 PubChem
    DB01424 DrugBank
    CHEMBL288470 ChEMBL
    C07539 KEGG Ligand
    AMDPYR CCDC
    ZINC000000057115 ZINC
    171 DrugCentral
    AMINOPYRINE rxnorm
    J2.331K Nikkaji
    74258 BindingDB
    DTXSID7020504 EPA CompTox Dashboard
    160246 ChEBI
    01704YP3MO FDA SRS
    The data in this table is sourced from UniChem at EBI.