Dataset

3-PHENYLINDOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004346 contains the MS mass spectrum of 3-PHENYLINDOLE with the InChIkey XZNGTBLWFCRXKR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15H
SMILES C1=CC=C(C=C1)C2=CNC3=CC=CC=C32
InChI Key XZNGTBLWFCRXKR-UHFFFAOYSA-N
Molecular Formula C14H11N
Exact Mass 193.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004346
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MetadataPublished 2016-01-19
Related Molecule
  • 3-phenyl-1H-indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    96502 PubChem
    15462990 PubChem: Thomson Pharma
    1504-16-1 ACToR
    7676CPK41G FDA SRS
    984417 eMolecules
    SCHEMBL84056 SureChEMBL
    90373 NMRShiftDB
    CHEMBL394896 ChEMBL
    J47.175E Nikkaji
    ZINC000001023851 ZINC
    DTXSID80164538 EPA CompTox Dashboard
    CB31330880 ChemicalBook
    The data in this table is sourced from UniChem at EBI.