Dataset

PHIP; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA000903 contains the MS2 mass spectrum of PHIP with the InChIkey UQVKZNNCIHJZLS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
SMILES Cn1c2c(ncc(c2)c2ccccc2)nc1N
InChI Key UQVKZNNCIHJZLS-UHFFFAOYSA-N
Molecular Formula C13H12N4
Exact Mass 224.106 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-UFZ-UA000903
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MetadataPublished 2014-06-24
Related Molecule
  • 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1213271 ChEMBL
    DB08398 DrugBank
    PIQ PDBe
    C16038 KEGG Ligand
    228873 Brenda
    J258.694K Nikkaji
    DTXSID3037628 EPA CompTox Dashboard
    HY-118716 MedChemExpress
    228874 Brenda
    CB4716839 ChemicalBook
    ZINC000001850101 ZINC
    76290 ChEBI
    SCHEMBL151718 SureChEMBL
    33683 Brenda
    HMDB0041008 Human Metabolome Database
    909C6UN66T FDA SRS
    PD004436 ProbesDrugs
    105650-23-5 ACToR
    1530 PubChem
    14773663 PubChem: Thomson Pharma
    917825 eMolecules
    The data in this table is sourced from UniChem at EBI.