Dataset

3-BENZOYL-1-METHYLINDOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004435 contains the MS mass spectrum of 3-BENZOYL-1-METHYLINDOLE with the InChIkey STRIBORQTQQOGQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3
SMILES c(c3)ccc(c3)C(=O)c(c([H])1)c(c2)c(ccc2)n(C)1
InChI Key STRIBORQTQQOGQ-UHFFFAOYSA-N
Molecular Formula C16H13NO
Exact Mass 235.100 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-JP004435
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1-methylindol-3-yl)-phenylmethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID30358480 EPA CompTox Dashboard
    J45.176B Nikkaji
    89746 BindingDB
    CHEMBL1598712 ChEMBL
    MCULE-4664502182 Mcule
    ZINC000000478189 ZINC
    899817 PubChem
    144120242 PubChem: Thomson Pharma
    2568832 eMolecules
    The data in this table is sourced from UniChem at EBI.