Dataset

Nifedipine; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013712 contains the MS2 mass spectrum of Nifedipine with the InChIkey HYIMSNHJOBLJNT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2O6/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/h5-8,15,18H,1-4H3
SMILES CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
InChI Key HYIMSNHJOBLJNT-UHFFFAOYSA-N
Molecular Formula C17H18N2O6
Exact Mass 346.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013712
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Author
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MetadataPublished 2023-11-10
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    Measurement Technique liquid chromatography-mass spectrometry
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    29349595 surechembl
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    4485 pubchem
    I9ZF7L6G2L fdasrs
    C5U pdbe
    2514 gtopdb
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    127074 brenda
    132142 brenda
    224433 brenda
    229727 brenda
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    3738 brenda
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    DTXSID2025715 comptox
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    Molport-000-787-707 molport
    1922 drugcentral
    50101817 bindingdb
    The data in this table is sourced from UniChem at EBI.