Dataset

N-PROPYL BENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003144 contains the MS mass spectrum of N-PROPYL BENZOATE with the InChIkey UDEWPOVQBGFNGE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES CCCOC(=O)c(c1)cccc1
InChI Key UDEWPOVQBGFNGE-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 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-JP003144
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • propyl benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    496651 eMolecules
    PD014143 ProbesDrugs
    14867461 PubChem: Thomson Pharma
    SCHEMBL130761 SureChEMBL
    60024304 NMRShiftDB
    16846 PubChem
    2315-68-6 ACToR
    HMDB0031761 Human Metabolome Database
    ZINC000001758084 ZINC
    DTXSID4044878 EPA CompTox Dashboard
    MCULE-8178011188 Mcule
    156072 ChEBI
    MTBLC156072 Metabolights
    REKJUM CCDC
    J585A Nikkaji
    CB1389980 ChemicalBook
    VWK210B7WS FDA SRS
    CHEMBL1355077 ChEMBL
    The data in this table is sourced from UniChem at EBI.