Dataset

Nicardipine; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002569 contains the MS mass spectrum of Nicardipine with the InChIkey ZBBHBTPTTSWHBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
SMILES c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C
InChI Key ZBBHBTPTTSWHBA-UHFFFAOYSA-N
Molecular Formula C26H29N3O6
Exact Mass 479.206 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-WA002569
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    CHEBI:180905 chebi
    CHEMBL1484 chembl
    29430153 surechembl
    34277 surechembl
    4474 pubchem
    CZ5312222S fdasrs
    2559 gtopdb
    PD009884 probes_and_drugs
    10124 brenda
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    229726 brenda
    69681 brenda
    HMDB0014760 hmdb
    DTXSID6023363 comptox
    NCT00093925 clinicaltrials
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    NCT00803634 clinicaltrials
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    NCT06093893 clinicaltrials
    Molport-002-484-049 molport
    1909 drugcentral
    50101815 bindingdb
    The data in this table is sourced from UniChem at EBI.