Dataset

ETHYLBENZENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012245 contains the MS mass spectrum of ETHYLBENZENE with the InChIkey YNQLUTRBYVCPMQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
SMILES CCc(c1)cccc1
InChI Key YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Molecular Formula C8H10
Exact Mass 106.078 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-JP012245
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • ethylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL371561 ChEMBL
    C07111 KEGG Ligand
    16101 ChEBI
    ZINC000000968270 ZINC
    DTXSID3020596 EPA CompTox Dashboard
    J2.272.471A Nikkaji
    J3.192.069H Nikkaji
    ETHYLBENZENE rxnorm
    MEYFIH CCDC
    50167951 BindingDB
    J3.589K Nikkaji
    SCHEMBL20979813 SureChEMBL
    7500 PubChem
    14915965 PubChem: Thomson Pharma
    L5I45M5G0O FDA SRS
    100-41-4 ACToR
    68908-88-3 ACToR
    25837-05-2 ACToR
    475202 eMolecules
    SCHEMBL29 SureChEMBL
    10007824 NMRShiftDB
    MCULE-6974188032 Mcule
    PYJ PDBe
    3263 Brenda
    136290 Brenda
    16101 Rhea
    HMDB0059905 Human Metabolome Database
    CB4672779 ChemicalBook
    The data in this table is sourced from UniChem at EBI.