Dataset

Valsartan; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002360 contains the MS mass spectrum of Valsartan with the InChIkey ACWBQPMHZXGDFX-QFIPXVFZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
SMILES CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
InChI Key ACWBQPMHZXGDFX-QFIPXVFZSA-N
Molecular Formula C24H29N5O3
Exact Mass 435.227 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-WA002360
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00177 drugbank
    CHEBI:9927 chebi
    U35 rcsb_pdb
    CHEMBL1069 chembl
    2542 surechembl
    29406387 surechembl
    678231 surechembl
    60846 pubchem
    80M03YXJ7I fdasrs
    U35 pdbe
    PD000563 probes_and_drugs
    KIPLIG CCDC
    HMDB0014323 hmdb
    Molport-002-507-854 molport
    Molport-003-666-608 molport
    50049186 bindingdb
    The data in this table is sourced from UniChem at EBI.