Dataset

Valeryl-4-hydroxyvalsartan; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01153151 contains the MS2 mass spectrum of Valeryl-4-hydroxyvalsartan with the InChIkey ICSQZMPILLPFKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)
SMILES CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O
InChI Key ICSQZMPILLPFKC-UHFFFAOYSA-N
Molecular Formula C24H29N5O4
Exact Mass 451.222 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-EQ01153151
Version
Author
Maintainer
Language
MetadataPublished 2024-05-08
Related Molecule
  • 2-[4-hydroxypentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24224465 surechembl
    3473671 surechembl
    17974863 pubchem
    PD120068 probes_and_drugs
    Molport-046-589-708 molport
    The data in this table is sourced from UniChem at EBI.