Dataset

Skimmianine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82190 contains the MS mass spectrum of Skimmianine with the InChIkey SLSIBLKBHNKZTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
SMILES COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
InChI Key SLSIBLKBHNKZTB-UHFFFAOYSA-N
Molecular Formula C14H13NO4
Exact Mass 259.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82190
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4,7,8-trimethoxyfuro[2,3-b]quinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10740 KEGG Ligand
    CHEMBL21396 ChEMBL
    J4.887I Nikkaji
    DTXSID90232116 EPA CompTox Dashboard
    ZINC000000035525 ZINC
    50486607 BindingDB
    HY-N2081 MedChemExpress
    9172 ChEBI
    SATNAC CCDC
    HMDB0258333 Human Metabolome Database
    MTBLC9172 Metabolights
    10017689 NMRShiftDB
    MCULE-8440641154 Mcule
    6760 PubChem
    PD045673 ProbesDrugs
    4E1KLC380B FDA SRS
    LSM-2560 LINCS
    15367675 PubChem: Thomson Pharma
    898044-50-3 ACToR
    83-95-4 ACToR
    5255-76-5 ACToR
    SCHEMBL893654 SureChEMBL
    709090 eMolecules
    The data in this table is sourced from UniChem at EBI.