Dataset

Dehydronifedipine; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002605 contains the MS mass spectrum of Dehydronifedipine with the InChIkey UMQHJQGNGLQJPF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3
SMILES COC(=O)c(c(C)1)c(c(c2)c(ccc2)[N+1]([O-1])=O)c(C(=O)OC)c(C)n1
InChI Key UMQHJQGNGLQJPF-UHFFFAOYSA-N
Molecular Formula C17H16N2O6
Exact Mass 344.101 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-WA002605
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:168902 chebi
    CHEMBL1573 chembl
    29351076 surechembl
    744307 surechembl
    128753 pubchem
    OR3W8GT1C8 fdasrs
    PD039364 probes_and_drugs
    YAFSOP CCDC
    HMDB0061041 hmdb
    Molport-003-332-954 molport
    The data in this table is sourced from UniChem at EBI.