Dataset

5-Carboline; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU288105 contains the MS2 mass spectrum of 5-Carboline with the InChIkey RDMFHRSPDKWERA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-7,13H
SMILES N1C2=C(C=CC=C2)C2=C1C=CN=C2
InChI Key RDMFHRSPDKWERA-UHFFFAOYSA-N
Molecular Formula C11H8N2
Exact Mass 168.069 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-Athens_Univ-AU288105
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    SCHEMBL121401 SureChEMBL
    244-69-9 ACToR
    89407EP2HE FDA SRS
    4323901 eMolecules
    ZINC000006117994 ZINC
    88867 NMRShiftDB
    MCULE-8436257661 Mcule
    130802 PubChem
    CHEMBL12540 ChEMBL
    DTXSID80179147 EPA CompTox Dashboard
    SEMSEJ CCDC
    HMDB0247024 Human Metabolome Database
    J10.932K Nikkaji
    CB51365262 ChemicalBook
    The data in this table is sourced from UniChem at EBI.