Dataset

VALSARTAN; ESI-QTOF; MS2; CE 20eV; [M-H]-

This MassBank record with Accession MSBNK-UPAO-UPA00017 contains the MS2 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00017
Version
Author
Maintainer
Language
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
    60846 PubChem
    MCULE-8348485974 Mcule
    MCULE-6728882368 Mcule
    ZINC000003875259 ZINC
    HMDB0014323 Human Metabolome Database
    CB6182539 ChemicalBook
    valsartan DailyMed
    PD000563 ProbesDrugs
    U35 PDBe
    80M03YXJ7I FDA SRS
    LSM-2993 LINCS
    SCHEMBL2542 SureChEMBL
    PA451848 PharmGKB
    Valsartan(Diovan) Selleck
    14881173 PubChem: Thomson Pharma
    14856825 PubChem: Thomson Pharma
    99228303 PubChem: Thomson Pharma
    32278148 eMolecules
    1989469 eMolecules
    33507560 eMolecules
    CHEMBL1069 ChEMBL
    123055291 PubChem: Drugs of the Future
    SAM001246581 NIH Clinical Collection
    9927 ChEBI
    3937 Guide to Pharmacology
    593 Guide to Pharmacology
    J550.722G Nikkaji
    KIPLIG CCDC
    50049186 BindingDB
    CB34813436 ChemicalBook
    CB14657818 ChemicalBook
    VALSARTAN DailyMed
    VALSARTAN rxnorm
    DIOVAN rxnorm
    EXFORGE rxnorm
    CGP 48933 clinicaltrials
    CGP-48933 clinicaltrials
    VALSARTAN clinicaltrials
    PREXXARTAN clinicaltrials
    DIOVAN clinicaltrials
    HY-18204 MedChemExpress
    2806 DrugCentral
    CB23133442 ChemicalBook
    CB3952405 ChemicalBook
    DB00177 DrugBank
    CB53133443 ChemicalBook
    2724803 eMolecules
    The data in this table is sourced from UniChem at EBI.