Dataset

2-METHYLCARBAZOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004329 contains the MS mass spectrum of 2-METHYLCARBAZOLE with the InChIkey PWJYOTPKLOICJK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8,14H,1H3
SMILES CC1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI Key PWJYOTPKLOICJK-UHFFFAOYSA-N
Molecular Formula C13H11N
Exact Mass 181.089 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-JP004329
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MetadataPublished 2016-01-19
Related Molecule
  • 2-methyl-9H-carbazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19290 PubChem
    7MWG08F2MG FDA SRS
    16118456 PubChem: Thomson Pharma
    3652-91-3 ACToR
    27323-29-1 ACToR
    SCHEMBL607346 SureChEMBL
    J46.571B Nikkaji
    50322581 BindingDB
    DTXSID9073963 EPA CompTox Dashboard
    ZINC000001706058 ZINC
    CB3490776 ChemicalBook
    CHEMBL1173640 ChEMBL
    The data in this table is sourced from UniChem at EBI.