Dataset

Nitrendipin; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU230958 contains the MS2 mass spectrum of Nitrendipin with the InChIkey PVHUJELLJLJGLN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC
InChI Key PVHUJELLJLJGLN-UHFFFAOYSA-N
Molecular Formula C18H20N2O6
Exact Mass 360.132 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-Athens_Univ-AU230958
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MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3680092622 Mcule
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    CB2395104 ChemicalBook
    HMDB0015187 Human Metabolome Database
    7582 ChEBI
    PD002662 ProbesDrugs
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    LSM-1246 LINCS
    14925926 PubChem: Thomson Pharma
    SCHEMBL38972 SureChEMBL
    PA146096020 PharmGKB
    Nitrendipine Selleck
    39562-70-4 ACToR
    592473 eMolecules
    CHEMBL475534 ChEMBL
    2334 Guide to Pharmacology
    C07713 KEGG Ligand
    12013715 PubChem: Drugs of the Future
    DB01054 DrugBank
    229731 Brenda
    229732 Brenda
    50237611 BindingDB
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    BAY E 5009 clinicaltrials
    NITRENDIPINE clinicaltrials
    JEXKUS CCDC
    BAY-E-5009 clinicaltrials
    BAYPRESS clinicaltrials
    HY-B0424 MedChemExpress
    9B627AW319 FDA SRS
    DTXSID0023373 EPA CompTox Dashboard
    1947 DrugCentral
    BAYOTENSIN clinicaltrials
    The data in this table is sourced from UniChem at EBI.