Dataset

Sacubitril; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01101455 contains the MS2 mass spectrum of Sacubitril with the InChIkey PYNXFZCZUAOOQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)
SMILES CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
InChI Key PYNXFZCZUAOOQC-UHFFFAOYSA-N
Molecular Formula C24H29NO5
Exact Mass 411.205 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101455
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MetadataPublished 2024-06-14
Related Molecule
  • 4-[[5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    489040 surechembl
    54214995 pubchem
    7857 gtopdb
    PD024218 probes_and_drugs
    HMDB0257439 hmdb
    The data in this table is sourced from UniChem at EBI.