Dataset

Mepacrine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00469 contains the MS2 mass spectrum of Mepacrine with the InChIkey GPKJTRJOBQGKQK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
SMILES CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1
InChI Key GPKJTRJOBQGKQK-UHFFFAOYSA-N
Molecular Formula C23H30ClN3O
Exact Mass 399.208 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00469
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MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.