Dataset

6PPD-quinone; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017173 contains the MS2 mass spectrum of 6PPD-quinone with the InChIkey UBMGKRIXKUIXFQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H22N2O2/c1-12(2)9-13(3)19-15-10-18(22)16(11-17(15)21)20-14-7-5-4-6-8-14/h4-8,10-13,19-20H,9H2,1-3H3
SMILES CC(C)CC(C)NC1=CC(=O)C(=CC1=O)NC2=CC=CC=C2
InChI Key UBMGKRIXKUIXFQ-UHFFFAOYSA-N
Molecular Formula C18H22N2O2
Exact Mass 298.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017173
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Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 2-anilino-5-(4-methylpentan-2-ylamino)cyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154926030 PubChem
    The data in this table is sourced from UniChem at EBI.