Dataset

Sacubitrilat; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01154901 contains the MS2 mass spectrum of Sacubitrilat with the InChIkey DOBNVUFHFMVMDB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)
SMILES CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O
InChI Key DOBNVUFHFMVMDB-UHFFFAOYSA-N
Molecular Formula C22H25NO5
Exact Mass 383.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01154901
Version
Author
Maintainer
Language
MetadataPublished 2024-05-08
Related Molecule
  • 4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    489122 surechembl
    18962645 pubchem
    7858 gtopdb
    PD027453 probes_and_drugs
    HMDB0257440 hmdb
    The data in this table is sourced from UniChem at EBI.