Dataset

Acridine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU251702 contains the MS2 mass spectrum of Acridine with the InChIkey DZBUGLKDJFMEHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
SMILES C1=CC2=CC3=CC=CC=C3N=C2C=C1
InChI Key DZBUGLKDJFMEHC-UHFFFAOYSA-N
Molecular Formula C13H9N
Exact Mass 179.073 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-AU251702
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • acridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.978E Nikkaji
    ACRIDINE clinicaltrials
    DTXSID8059766 EPA CompTox Dashboard
    ACRDIN CCDC
    HMDB0247968 Human Metabolome Database
    36420 ChEBI
    CHEMBL39677 ChEMBL
    CB9853399 ChemicalBook
    ZINC000008579950 ZINC
    21809 Brenda
    74925 NMRShiftDB
    SCHEMBL8339 SureChEMBL
    MCULE-5722792423 Mcule
    9215 PubChem
    15195151 PubChem: Thomson Pharma
    42NI1P5Q1X FDA SRS
    260-94-6 ACToR
    PD055417 ProbesDrugs
    474863 eMolecules
    The data in this table is sourced from UniChem at EBI.