Dataset

ETHYL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007064 contains the MS mass spectrum of ETHYL ACETATE with the InChIkey XEKOWRVHYACXOJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
SMILES CCOC(C)=O
InChI Key XEKOWRVHYACXOJ-UHFFFAOYSA-N
Molecular Formula C4H8O2
Exact Mass 88.052 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-JP007064
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8857 PubChem
    76845O8NMZ FDA SRS
    15296932 PubChem: Thomson Pharma
    141-78-6 ACToR
    477309 eMolecules
    10008694 NMRShiftDB
    MCULE-6628539781 Mcule
    SCHEMBL155 SureChEMBL
    J3.639.860D Nikkaji
    27750 Rhea
    ethyl acetate DailyMed
    ZINC000000895412 ZINC
    MTBLC27750 Metabolights
    2738 Brenda
    96071 Brenda
    HMDB0031217 Human Metabolome Database
    CB7255315 ChemicalBook
    27750 ChEBI
    C00849 KEGG Ligand
    EEE PDBe
    CHEMBL14152 ChEMBL
    ETHYL ACETATE clinicaltrials
    DTXSID1022001 EPA CompTox Dashboard
    ETHYL ACETATE DailyMed
    50128823 BindingDB
    ETHYL ACETATE rxnorm
    J2.952A Nikkaji
    The data in this table is sourced from UniChem at EBI.