Dataset

Karanjin; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00286 contains the MS2 mass spectrum of Karanjin with the InChIkey LKPQNZRGGNOPPU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
SMILES COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4
InChI Key LKPQNZRGGNOPPU-UHFFFAOYSA-N
Molecular Formula C18H12O4
Exact Mass 292.074 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-BML00286
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL208484 ChEMBL
    166631 ChEBI
    HY-N2534 MedChemExpress
    MCULE-6473864283 Mcule
    DTXSID20200106 EPA CompTox Dashboard
    SEMVAH CCDC
    ZINC000000039119 ZINC
    J6.616H Nikkaji
    HMDB0253763 Human Metabolome Database
    LMPK12111542 LipidMaps
    PD158715 ProbesDrugs
    521-88-0 ACToR
    60027051 NMRShiftDB
    744166 eMolecules
    138791 Brenda
    CB4134736 ChemicalBook
    100633 PubChem
    WV7IM0I02M FDA SRS
    SCHEMBL247164 SureChEMBL
    The data in this table is sourced from UniChem at EBI.