Dataset

ETHINAMATE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003168 contains the MS mass spectrum of ETHINAMATE with the InChIkey GXRZIMHKGDIBEW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
SMILES C#CC(C1)(CCCC1)OC(N)=O
InChI Key GXRZIMHKGDIBEW-UHFFFAOYSA-N
Molecular Formula C9H13NO2
Exact Mass 167.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003168
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1-ethynylcyclohexyl) carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3284 PubChem
    PD009587 ProbesDrugs
    IAN371PP48 FDA SRS
    15066627 PubChem: Thomson Pharma
    SCHEMBL44635 SureChEMBL
    PA164745394 PharmGKB
    126-52-3 ACToR
    537984 eMolecules
    HMDB0015165 Human Metabolome Database
    4884 ChEBI
    ZINC000000001385 ZINC
    DTXSID7023013 EPA CompTox Dashboard
    J2.513E Nikkaji
    ETHINAMATE rxnorm
    1081 DrugCentral
    7325 Guide to Pharmacology
    DB01031 DrugBank
    CHEMBL1576 ChEMBL
    C07832 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.