Dataset

PHENYL BUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008562 contains the MS mass spectrum of PHENYL BUTYRATE with the InChIkey IGVPBCZDHMIOJH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
SMILES CCCC(=O)Oc(c1)cccc1
InChI Key IGVPBCZDHMIOJH-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-JP008562
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MetadataPublished 2016-01-19
Related Molecule
  • phenyl butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20354 PubChem
    MCULE-4521121597 Mcule
    15120352 PubChem: Thomson Pharma
    4346-18-3 ACToR
    SCHEMBL62921 SureChEMBL
    180407 ChEBI
    R9K49A127H FDA SRS
    20805 Brenda
    5279 Brenda
    HMDB0041612 Human Metabolome Database
    DTXSID30195857 EPA CompTox Dashboard
    PHENYL BUTYRATE rxnorm
    ZINC000002037928 ZINC
    CB8709491 ChemicalBook
    J121.748H Nikkaji
    The data in this table is sourced from UniChem at EBI.