Dataset

1-METHYLINDOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007835 contains the MS mass spectrum of 1-METHYLINDOLE with the InChIkey BLRHMMGNCXNXJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
SMILES [H]c(c([H])1)n(C)c(c2)c(ccc2)1
InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N
Molecular Formula C9H9N
Exact Mass 131.073 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-JP007835
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methylindole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL19912 ChEMBL
    50098763 BindingDB
    225056 Brenda
    HMDB0243941 Human Metabolome Database
    ZINC000001750961 ZINC
    J45.593H Nikkaji
    DTXSID3060534 EPA CompTox Dashboard
    SCHEMBL29812 SureChEMBL
    11781 PubChem
    14818201 PubChem: Thomson Pharma
    603-76-9 ACToR
    487004 eMolecules
    CB1371608 ChemicalBook
    120927 Brenda
    8H698ROJ5F FDA SRS
    MCULE-1550838606 Mcule
    10018782 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.