Dataset

Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-

This MassBank record with Accession MSBNK-MSSJ-MSJ01856 contains the MS2 mass spectrum of Amobarbital with the InChIkey VIROVYVQCGLCII-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
SMILES CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
InChI Key VIROVYVQCGLCII-UHFFFAOYSA-N
Molecular Formula C11H18N2O3
Exact Mass 226.132 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-MSSJ-MSJ01856
Version
Author
Maintainer
Language
MetadataPublished 2023-03-28
Related Molecule
  • 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01351 drugbank
    CHEBI:2673 chebi
    CHEMBL267894 chembl
    15364946 surechembl
    43780 surechembl
    2164 pubchem
    GWH6IJ239E fdasrs
    PD009540 probes_and_drugs
    AMYTAL CCDC
    3064 brenda
    43764 brenda
    HMDB0015440 hmdb
    DTXSID9020081 comptox
    NCT04589611 clinicaltrials
    NCT06385756 clinicaltrials
    184 drugcentral
    The data in this table is sourced from UniChem at EBI.