Dataset

INDOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003524 contains the MS mass spectrum of INDOLE with the InChIkey SIKJAQJRHWYJAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
SMILES C1=CC=C2C(=C1)C=CN2
InChI Key SIKJAQJRHWYJAI-UHFFFAOYSA-N
Molecular Formula C8H7N
Exact Mass 117.058 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-JP003524
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1H-indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50094702 BindingDB
    INDOLE rxnorm
    HY-W001132 MedChemExpress
    INDOLE CCDC
    DTXSID0020737 EPA CompTox Dashboard
    J2.920C Nikkaji
    16881 ChEBI
    C00463 KEGG Ligand
    CHEMBL15844 ChEMBL
    IND PDBe
    8724FJW4M5 FDA SRS
    PD014419 ProbesDrugs
    2584-75-0 ACToR
    798 PubChem
    15119819 PubChem: Thomson Pharma
    493363 eMolecules
    10006007 NMRShiftDB
    SCHEMBL698 SureChEMBL
    MCULE-9442796928 Mcule
    ZINC000014516984 ZINC
    CB8275772 ChemicalBook
    16881 Rhea
    HMDB0000738 Human Metabolome Database
    49126 Brenda
    DB04532 DrugBank
    472 Brenda
    MTBLC16881 Metabolights
    The data in this table is sourced from UniChem at EBI.