Dataset

ETHYL 4-METHYLPENTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006535 contains the MS mass spectrum of ETHYL 4-METHYLPENTANOATE with the InChIkey OFQRUTMGVBMTFQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
SMILES CCOC(=O)CCC(C)C
InChI Key OFQRUTMGVBMTFQ-UHFFFAOYSA-N
Molecular Formula C8H16O2
Exact Mass 144.115 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-JP006535
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • ethyl 4-methylpentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    89445 ChEBI
    J43.448E Nikkaji
    DTXSID6067094 EPA CompTox Dashboard
    LMFA07010869 LipidMaps
    117477 PubChem
    ZINC000002584406 ZINC
    HMDB0032272 Human Metabolome Database
    SCHEMBL103981 SureChEMBL
    60059070 NMRShiftDB
    DZX6U00Q87 FDA SRS
    25415-67-2 ACToR
    523182 eMolecules
    The data in this table is sourced from UniChem at EBI.