Dataset

Velutin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00268 contains the MS2 mass spectrum of Velutin with the InChIkey ROCUOVBWAWAQFD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OC)c(O)c2
InChI Key ROCUOVBWAWAQFD-UHFFFAOYSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-Fiocruz-FIO00268
Version
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Maintainer
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MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    CB71363303 ChemicalBook
    ZINC000005732373 ZINC
    5464381 PubChem
    60019837 NMRShiftDB
    MTBLC177047 Metabolights
    15371171 PubChem: Thomson Pharma
    25739-41-7 ACToR
    SCHEMBL5804380 SureChEMBL
    PD065071 ProbesDrugs
    CHEMBL508292 ChEMBL
    249761 Brenda
    CT1Q4E0I0W FDA SRS
    J146.867G Nikkaji
    LMPK12111053 LipidMaps
    DTXSID90180421 EPA CompTox Dashboard
    HY-N1098 MedChemExpress
    177047 ChEBI
    236301 Brenda
    84983 BindingDB
    The data in this table is sourced from UniChem at EBI.