Dataset

Enalapril; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU271801 contains the MS2 mass spectrum of Enalapril with the InChIkey GBXSMTUPTTWBMN-XIRDDKMYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
SMILES CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
InChI Key GBXSMTUPTTWBMN-XIRDDKMYSA-N
Molecular Formula C20H28N2O5
Exact Mass 376.200 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-AU271801
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MetadataPublished 2019-05-30
Related Molecule
  • (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00584 drugbank
    CHEMBL578 chembl
    18 surechembl
    40466924 pubchem
    5388962 pubchem
    69PN84IO1A fdasrs
    PD009906 probes_and_drugs
    10999 brenda
    132375 brenda
    HMDB0014722 hmdb
    Molport-002-885-877 molport
    1005 drugcentral
    50017129 bindingdb
    The data in this table is sourced from UniChem at EBI.