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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    DB01054 drugbank
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    CHEMBL475534 chembl
    29465067 surechembl
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    9B627AW319 fdasrs
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    PD002662 probes_and_drugs
    JEXKUS CCDC
    229731 brenda
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    HMDB0015187 hmdb
    Molport-001-827-314 molport
    1947 drugcentral
    50237611 bindingdb
    The data in this table is sourced from UniChem at EBI.