Dataset

BENZYL BENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011119 contains the MS mass spectrum of BENZYL BENZOATE with the InChIkey SESFRYSPDFLNCH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
SMILES O=C(OCc(c2)cccc2)c(c1)cccc1
InChI Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula C14H12O2
Exact Mass 212.084 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-JP011119
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • benzyl benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB9152283 ChemicalBook
    MTBLC41237 Metabolights
    40704 Brenda
    HMDB0014814 Human Metabolome Database
    benzyl benzoate DailyMed
    10005811 NMRShiftDB
    SCHEMBL3038 SureChEMBL
    41237 ChEBI
    MCULE-4369643785 Mcule
    PD001112 ProbesDrugs
    N863NB338G FDA SRS
    95931-02-5 ACToR
    15043108 PubChem: Thomson Pharma
    PA164748881 PharmGKB
    120-51-4 ACToR
    479707 eMolecules
    CHEMBL1239 ChEMBL
    BZM PDBe
    DB00676 DrugBank
    50134035 BindingDB
    DASYAA CCDC
    J5.327I Nikkaji
    ZINC000000001021 ZINC
    335 DrugCentral
    DTXSID8029153 EPA CompTox Dashboard
    BENZYL BENZOATE clinicaltrials
    HY-B0935 MedChemExpress
    BENZYL BENZOATE rxnorm
    BENZYL BENZOATE DailyMed
    2345 PubChem
    41237 Rhea
    The data in this table is sourced from UniChem at EBI.