Dataset

Lisinopril; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001430 contains the MS mass spectrum of Lisinopril with the InChIkey RLAWWYSOJDYHDC-BZSNNMDCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
SMILES NCCCCC(NC(C(O)=O)CCc(c2)cccc2)C(=O)N(C1)C(CC1)C(O)=O
InChI Key RLAWWYSOJDYHDC-BZSNNMDCSA-N
Molecular Formula C21H31N3O5
Exact Mass 405.226 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-WA001430
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00722 drugbank
    CHEBI:43755 chebi
    LPR rcsb_pdb
    CHEMBL1237 chembl
    15680 surechembl
    11865407 pubchem
    139146300 pubchem
    5362119 pubchem
    PD001442 probes_and_drugs
    GERXEI CCDC
    100958 brenda
    101055 brenda
    7Q3P4BS2FD fdasrs
    HMDB0001938 hmdb
    Molport-002-507-428 molport
    1587 drugcentral
    50367879 bindingdb
    66979 bindingdb
    The data in this table is sourced from UniChem at EBI.