Dataset

Ecgoninemethylester; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000512 contains the MS mass spectrum of Ecgoninemethylester with the InChIkey QIQNNBXHAYSQRY-UYXSQOIJSA-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/t6-,7+,8-,9+/m0/s1
SMILES COC(=O)C(C(O)1)C(C2)N(C)C(C2)C1
InChI Key QIQNNBXHAYSQRY-UYXSQOIJSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000512
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl (1R,2R,3S,5S)-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
    DB04688 drugbank
    CHEBI:31529 chebi
    ECG rcsb_pdb
    CHEMBL1232472 chembl
    328854 surechembl
    104904 pubchem
    PD005901 probes_and_drugs
    10345 brenda
    167099 brenda
    167113 brenda
    191617 brenda
    191618 brenda
    21304 brenda
    Y35FJB3QBJ fdasrs
    50417947 bindingdb
    The data in this table is sourced from UniChem at EBI.