Dataset

3-Formylindole; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA005101 contains the MS2 mass spectrum of 3-Formylindole 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 c1ccc2c(c1)c(c[nH]2)C=O
InChI Key OLNJUISKUQQNIM-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.053 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-UA005101
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Maintainer
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MetadataPublished 2017-08-17
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
    50256755 bindingdb
    50256756 bindingdb
    50338653 bindingdb
    50919922 bindingdb
    50919930 bindingdb
    Molport-000-139-987 molport
    The data in this table is sourced from UniChem at EBI.