Dataset

Phenobarbital; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ362455 contains the MS2 mass spectrum of Phenobarbital with the InChIkey DDBREPKUVSBGFI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
SMILES CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI Key DDBREPKUVSBGFI-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.085 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-Eawag-EQ362455
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MetadataPublished 2015-08-26
Related Molecule
  • 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.