Dataset

Benzoyleneurea; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311109338 contains the MS2 mass spectrum of Benzoyleneurea with the InChIkey SDQJTWBNWQABLE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
SMILES C1=CC=C2C(=C1)C(=O)NC(=O)N2
InChI Key SDQJTWBNWQABLE-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
Exact Mass 162.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109338
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    481620 eMolecules
    988036 eMolecules
    L3N PDBe
    SCHEMBL37945 SureChEMBL
    86-96-4 ACToR
    PD088178 ProbesDrugs
    15188796 PubChem: Thomson Pharma
    15946837 PubChem: Thomson Pharma
    14891698 PubChem: Thomson Pharma
    MCULE-2568324638 Mcule
    64048 PubChem
    30100276 NMRShiftDB
    150769 Brenda
    CB8705019 ChemicalBook
    51545 Brenda
    51262 Brenda
    112307 Brenda
    ZINC000000150158 ZINC
    50106196 BindingDB
    DTXSID30235343 EPA CompTox Dashboard
    18K00A531C FDA SRS
    HMDB0249051 Human Metabolome Database
    MOFBUF CCDC
    HY-N7089 MedChemExpress
    J11.614I Nikkaji
    CHEMBL421646 ChEMBL
    The data in this table is sourced from UniChem at EBI.