Dataset

Viridicatin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000277 contains the MS2 mass spectrum of Viridicatin with the InChIkey QSRVMXWVVMILDI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18)
SMILES C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)O
InChI Key QSRVMXWVVMILDI-UHFFFAOYSA-N
Molecular Formula C15H11NO2
Exact Mass 237.079 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-AAFC-AC000277
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MetadataPublished 2017-07-07
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10156022 EPA CompTox Dashboard
    DOJHAO CCDC
    J5.422D Nikkaji
    CB51370523 ChemicalBook
    4322196 eMolecules
    ZINC000017221159 ZINC
    CHEMBL2386742 ChEMBL
    MTBLC140443 Metabolights
    140443 ChEBI
    247022 BindingDB
    70003751 NMRShiftDB
    16058808 PubChem: Thomson Pharma
    PD057868 ProbesDrugs
    67206 PubChem
    45493KS618 FDA SRS
    SCHEMBL5396117 SureChEMBL
    The data in this table is sourced from UniChem at EBI.