Dataset

4-Isopropylantipyrine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227201 contains the MS2 mass spectrum of 4-Isopropylantipyrine with the InChIkey PXWLVJLKJGVOKE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
SMILES Cc1c(c(=O)n(n1C)c2ccccc2)C(C)C
InChI Key PXWLVJLKJGVOKE-UHFFFAOYSA-N
Molecular Formula C14H18N2O
Exact Mass 230.142 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU227201
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MetadataPublished 2018-12-19
Related Molecule
  • 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.