Dataset

Nitrendipine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002558 contains the MS mass spectrum of Nitrendipine 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)C(=C(C)1)C(c(c2)cc(N(=O)=O)cc2)C(C(=O)OC)=C(C)N1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002558
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01054 drugbank
    CHEBI:7582 chebi
    CHEMBL475534 chembl
    29465067 surechembl
    38972 surechembl
    4507 pubchem
    9B627AW319 fdasrs
    2334 gtopdb
    PD002662 probes_and_drugs
    JEXKUS CCDC
    229731 brenda
    229732 brenda
    HMDB0015187 hmdb
    Molport-001-827-314 molport
    1947 drugcentral
    50237611 bindingdb
    The data in this table is sourced from UniChem at EBI.