Dataset

Methylecgonine; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01153008 contains the MS2 mass spectrum of Methylecgonine with the InChIkey QIQNNBXHAYSQRY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3
SMILES CN1C2CCC1C(C(C2)O)C(=O)OC
InChI Key QIQNNBXHAYSQRY-UHFFFAOYSA-N
Molecular Formula C10H17NO3
Exact Mass 199.121 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-Eawag-EQ01153008
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MetadataPublished 2024-05-08
Related Molecule
  • methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL305331 chembl
    329030 surechembl
    251884 pubchem
    PD039487 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.