Dataset

Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS108901 contains the MS2 mass spectrum of Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde with the InChIkey OLNJUISKUQQNIM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
SMILES C1=CC=C2C(=C1)C(=CN2)C=O
InChI Key OLNJUISKUQQNIM-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.161 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-RIKEN_ReSpect-PS108901
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • 1H-indole-3-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28238 chebi
    I3A rcsb_pdb
    CHEMBL147741 chembl
    19180195 surechembl
    56373 surechembl
    10256 pubchem
    7FN04C32UO fdasrs
    PD124928 probes_and_drugs
    COMWOQ CCDC
    106305 brenda
    123807 brenda
    132162 brenda
    175722 brenda
    4533 brenda
    57359 brenda
    91481 brenda
    95883 brenda
    HMDB0029737 hmdb
    Molport-000-139-987 molport
    50182880 bindingdb
    The data in this table is sourced from UniChem at EBI.