Dataset

Olopatadine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU221005 contains the MS2 mass spectrum of Olopatadine with the InChIkey JBIMVDZLSHOPLA-LSCVHKIXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
SMILES CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O
InChI Key JBIMVDZLSHOPLA-LSCVHKIXSA-N
Molecular Formula C21H23NO3
Exact Mass 337.168 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-AU221005
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MetadataPublished 2016-02-22
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00768 drugbank
    CHEMBL1189432 chembl
    29359369 surechembl
    4668 surechembl
    25271818 pubchem
    5281071 pubchem
    D27V6190PM fdasrs
    PD009730 probes_and_drugs
    KUFBIW CCDC
    144773 brenda
    HMDB0014906 hmdb
    Molport-003-986-254 molport
    1986 drugcentral
    50002096 bindingdb
    The data in this table is sourced from UniChem at EBI.