Dataset

BENZENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002103 contains the MS mass spectrum of BENZENE with the InChIkey UHOVQNZJYSORNB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
SMILES c(c1)cccc1
InChI Key UHOVQNZJYSORNB-UHFFFAOYSA-N
Molecular Formula C6H6
Exact Mass 78.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002103
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16716 ChEBI
    C01407 KEGG Ligand
    BNZ PDBe
    CHEMBL277500 ChEMBL
    50167939 BindingDB
    J2.375B Nikkaji
    ZINC000000967532 ZINC
    DTXSID3039242 EPA CompTox Dashboard
    9107 Brenda
    BENZENE rxnorm
    J1.749.610G Nikkaji
    241 PubChem
    Benzene Atlas
    J64922108F FDA SRS
    15321034 PubChem: Thomson Pharma
    27271-55-2 ACToR
    174973-66-1 ACToR
    26181-88-4 ACToR
    71-43-2 ACToR
    479848 eMolecules
    1750 Brenda
    121990 Brenda
    CB6854153 ChemicalBook
    16716 Rhea
    HMDB0001505 Human Metabolome Database
    SCHEMBL194 SureChEMBL
    7901 NMRShiftDB
    MCULE-4899719484 Mcule
    The data in this table is sourced from UniChem at EBI.