Dataset

Harmaline; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00094 contains the MS2 mass spectrum of Harmaline with the InChIkey QJOZJXNKVMFAET-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
SMILES CC1=C2C(=C3C=CC(=CC3=N2)OC)CCN1
InChI Key QJOZJXNKVMFAET-UHFFFAOYSA-N
Molecular Formula C13H14N2O
Exact Mass 214.111 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00094
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MetadataPublished 2016-01-19
Related Molecule
  • 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3862598 SureChEMBL
    70031352 NMRShiftDB
    PD056221 ProbesDrugs
    ZINC000012496083 ZINC
    95328 ChEBI
    MTBLC95328 Metabolights
    The data in this table is sourced from UniChem at EBI.