Dataset

Methylecgonidine; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017507 contains the MS2 mass spectrum of Methylecgonidine with the InChIkey MPSNEAHFGOEKBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3
SMILES CN1C2CCC1C(=CC2)C(=O)OC
InChI Key MPSNEAHFGOEKBI-UHFFFAOYSA-N
Molecular Formula C10H15NO2
Exact Mass 181.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017507
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL412663 chembl
    14193545 surechembl
    592280 pubchem
    PD164086 probes_and_drugs
    HMDB0248436 hmdb
    DTXSID70343794 comptox
    50064614 bindingdb
    The data in this table is sourced from UniChem at EBI.