Dataset

Enalapril; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001937 contains the MS 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(CCc(c2)cccc2)NC(C)C(=O)N(C1)C(CC1)C(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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001937
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    NAPRILENE clinicaltrials
    C09AA02 clinicaltrials
    MK-421 clinicaltrials
    RENITEC clinicaltrials
    RENIVACE clinicaltrials
    ENACARD clinicaltrials
    ENALAPRIL clinicaltrials
    ENALAPRIL MALEATE clinicaltrials
    EPANED clinicaltrials
    XANEF clinicaltrials
    HY-B0331 MedChemExpress
    DTXSID5022982 EPA CompTox Dashboard
    1005 DrugCentral
    6322 Guide to Pharmacology
    J240.110J Nikkaji
    50017129 BindingDB
    VASOTEC clinicaltrials
    INNOVACE clinicaltrials
    EPANED rxnorm
    VASERETIC rxnorm
    ENALAPRIL MALEATE rxnorm
    ENALAPRIL rxnorm
    ENALAPRIL DailyMed
    10999 Brenda
    CHEMBL578 ChEMBL
    C06977 KEGG Ligand
    132375 Brenda
    HMDB0014722 Human Metabolome Database
    ZINC000003791297 ZINC
    enalapril DailyMed
    40466924 PubChem
    4784 ChEBI
    14779899 PubChem: Thomson Pharma
    75847-73-3 ACToR
    SCHEMBL18 SureChEMBL
    LSM-3282 LINCS
    69PN84IO1A FDA SRS
    DB00584 DrugBank
    enalapril Atlas
    PD009906 ProbesDrugs
    14877707 PubChem: Thomson Pharma
    5388962 PubChem
    The data in this table is sourced from UniChem at EBI.