Dataset

Amobarbital; LC-ESI-Q; MS; NEG; 45 V

This MassBank record with Accession MSBNK-Waters-WA001989 contains the MS 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 CC(C)CCC(CC)(C(=O)1)C(=O)NC(=O)N1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001989
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    20200623 NMRShiftDB
    43764 Brenda
    HMDB0015440 Human Metabolome Database
    amobarbital DailyMed
    ZINC000004811698 ZINC
    3064 Brenda
    35843381 eMolecules
    GWH6IJ239E FDA SRS
    15415185 PubChem: Thomson Pharma
    2164 PubChem
    57-43-2 ACToR
    SCHEMBL43780 SureChEMBL
    PA448401 PharmGKB
    PD009540 ProbesDrugs
    CHEMBL267894 ChEMBL
    C07536 KEGG Ligand
    2673 ChEBI
    DB01351 DrugBank
    AMOBARBITAL DailyMed
    AMOBARBITAL SODIUM rxnorm
    AMYTAL rxnorm
    AMOBARBITAL rxnorm
    AMYTAL SODIUM clinicaltrials
    AMYTAL CCDC
    AMOBARBITAL SODIUM clinicaltrials
    AMOBARBITAL clinicaltrials
    DTXSID9020081 EPA CompTox Dashboard
    184 DrugCentral
    J1.381A Nikkaji
    AMYTAL clinicaltrials
    The data in this table is sourced from UniChem at EBI.